| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.3 | Very low | 64.2 | Low | 105 Ų | 105 | 35 Ų | 35 | 52% | 0.517 | 18% | 0.184 | S | C | . | . | 0 | -152.2 | 0 | -131.5 | 179.8 | -68.2 | 0 | 0 | 111.7 | L2325 K2326 N2328 | M1-L2325 WeakPolarHBondContact CB-O 3.3Å; M1-L2325 HydrophobicContact CE-CB 4.28Å; M1-L2325 HydrophobicContact CE-CD2 3.79Å; M1-L2325 WeakPolarHBondContact CE-O 3.44Å; M1-L2325 HydrophobicContact SD-CB 3.86Å; M1-L2325 HydrophobicContact SD-CD2 3.82Å; M1-L2325 HydrophobicContact SD-CG 4.39Å; M1-K2326 PolarHBondContact N-O 3.47Å; M1-N2328 PolarHBondContact N-OXT 3.15Å | |||
| 2 | T | 41.3 | Very low | 65.8 | Low | 45 Ų | 45 | 32.1 Ų | 32.1 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | trans | -135.8 | 117.9 | 165.9 | 65.3 | 0 | 0 | 0 | 0 | 117.1 | R2283 V2322 K2326 | T2-R2283 PolarHBondContact OG1-NH1 3.44Å; T2-V2322 WeakPolarHBondContact O-CG1 3.42Å; T2-K2326 VanDerWaalsContact CA-CE 3.44Å | ||
| 3 | S | 58.9 | Low | 67.1 | Low | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -49.9 | 154.2 | 174 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | D6 R7 V2322 K2326 | S3-D6 PolarHBondContact OG-N 3.33Å; S3-D6 PolarHBondContact OG-OD1 3.07Å; S3-R7 WeakPolarHBondContact O-CB 3.49Å; S3-R7 VanDerWaalsContact O-CG 3.28Å; S3-R7 WeakPolarHBondContact O-CG 3.35Å; S3-R7 PolarHBondContact O-N 3.5Å; S3-V2322 WeakPolarHBondContact CA-O 3.44Å; S3-K2326 VanDerWaalsContact N-CD 3.29Å; S3-K2326 VanDerWaalsContact N-CE 3.28Å; S3-K2326 PolarHBondContact O-NZ 3.43Å; S3-K2326 WeakPolarHBondContact OG-CD 3.33Å; S3-K2326 PolarHBondContact OG-NZ 3.36Å | ||
| 4 | R | 57 | Low | 67.5 | Low | 19 Ų | 19 | 40.8 Ų | 40.8 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -47 | 169.8 | -179.5 | -179.9 | 179.7 | -132.2 | -4.3 | 109.7 | D6 R7 L8 E2274 D2319 V2322 | R4-D6 PolarHBondContact O-N 3.36Å; R4-R7 CarbonylContact O-C 3.59Å; R4-R7 WeakPolarHBondContact O-CA 3.35Å; R4-R7 WeakPolarHBondContact O-CB 3.4Å; R4-R7 PolarHBondContact O-N 2.95Å; R4-L8 HydrophobicContact CG-CD1 4.45Å; R4-L8 PolarHBondContact O-N 3.34Å; R4-E2274 VanDerWaalsContact CG-OE2 3.27Å; R4-E2274 WeakPolarHBondContact CG-OE2 3.15Å; R4-E2274 IonicContact CZ-OE1 3.02Å; R4-E2274 IonicContact CZ-OE2 2.98Å; R4-E2274 IonicContact NE-OE1 2.84Å; R4-E2274 IonicContact NE-OE2 3.83Å; R4-E2274 PolarHBondContact NE-OE2 3.43Å; R4-E2274 IonicContact NH2-OE1 3.56Å; R4-E2274 PolarHBondContact NH2-OE1 3.16Å; R4-E2274 IonicContact NH2-OE2 3.62Å; R4-D2319 WeakPolarHBondContact CB-OD1 3.19Å; R4-D2319 WeakPolarHBondContact CD-OD1 3.22Å; R4-D2319 WeakPolarHBondContact CD-OD2 3.24Å; R4-D2319 WeakPolarHBondContact CG-OD1 3.22Å; R4-D2319 IonicContact CZ-OD2 3.85Å; R4-D2319 IonicContact NE-OD2 3.36Å; R4-D2319 IonicContact NH1-OD2 3.91Å; R4-D2319 PolarHBondContact NH1-OD2 2.96Å; R4-V2322 HydrophobicContact CB-CB 3.9Å; R4-V2322 HydrophobicContact CB-CG1 4.27Å; R4-V2322 HydrophobicContact CB-CG2 4.13Å; R4-V2322 VanDerWaalsContact N-CG1 3.29Å |
| 5 | L | 68.5 | Low | 67.7 | Low | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.8 | -48.1 | 177.1 | -142.7 | 161.8 | 0 | 0 | 0 | 114 | L8 F9 L28 Y41 V42 D2319 | L5-L8 VanDerWaalsContact O-CB 3.3Å; L5-L8 WeakPolarHBondContact O-CB 3.22Å; L5-L8 PolarHBondContact O-N 2.92Å; L5-F9 HydrophobicContact CD2-CD2 3.99Å; L5-F9 HydrophobicContact CD2-CE2 3.1Å; L5-F9 HydrophobicContact CD2-CZ 3.43Å; L5-F9 VanDerWaalsContact CD2-CZ 3.43Å; L5-F9 VanDerWaalsContact O-CD2 3.3Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.15Å; L5-F9 VanDerWaalsContact O-N 3.12Å; L5-L28 HydrophobicContact CD2-CD2 4.11Å; L5-L28 HydrophobicContact CG-CD2 4.41Å; L5-Y41 HydrophobicContact CD1-CD1 4.01Å; L5-Y41 HydrophobicContact CD1-CE1 4.04Å; L5-Y41 HydrophobicContact CD2-CD1 4.4Å; L5-Y41 HydrophobicContact CD2-CE1 4.13Å; L5-V42 HydrophobicContact CD1-CG2 4.22Å; L5-V42 HydrophobicContact CD2-CG2 4.34Å; L5-D2319 HydrophobicContact CB-CB 4.38Å; L5-D2319 HydrophobicContact CD1-CB 4.26Å; L5-D2319 PolarHBondContact N-OD1 3.18Å; L5-D2319 VanDerWaalsContact N-OD1 3.09Å |
| 6 | D | 69.6 | Low | 67.8 | Low | 44 Ų | 44 | 42.9 Ų | 42.9 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -91.9 | -1.7 | 175.1 | 2.9 | -23.2 | 0 | 0 | 0 | 114.1 | S3 R4 F9 A10 K2326 | S3-D6 PolarHBondContact OG-N 3.33Å; S3-D6 PolarHBondContact OG-OD1 3.07Å; R4-D6 PolarHBondContact O-N 3.36Å; D6-F9 HydrophobicContact CB-CB 4.32Å; D6-F9 HydrophobicContact CB-CD2 3.84Å; D6-A10 WeakPolarHBondContact O-CB 3.49Å; D6-A10 PolarHBondContact O-N 2.85Å; D6-A10 VanDerWaalsContact O-N 3.09Å; D6-K2326 IonicContact OD1-NZ 3.81Å; D6-K2326 WeakPolarHBondContact OD2-CD 3.26Å; D6-K2326 WeakPolarHBondContact OD2-CE 3.49Å; D6-K2326 IonicContact OD2-NZ 2.66Å; D6-K2326 PolarHBondContact OD2-NZ 3.23Å |
| 7 | R | 66.5 | Low | 67.9 | Low | 66 Ų | 66 | 40.7 Ų | 40.7 | 25% | 0.249 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.9 | -39.2 | 157.2 | -82.4 | -173 | -70.1 | 145.2 | -1.8 | 110.2 | S3 R4 A10 L11 | S3-R7 WeakPolarHBondContact O-CB 3.49Å; S3-R7 VanDerWaalsContact O-CG 3.28Å; S3-R7 WeakPolarHBondContact O-CG 3.35Å; S3-R7 PolarHBondContact O-N 3.5Å; R4-R7 CarbonylContact O-C 3.59Å; R4-R7 WeakPolarHBondContact O-CA 3.35Å; R4-R7 WeakPolarHBondContact O-CB 3.4Å; R4-R7 PolarHBondContact O-N 2.95Å; R7-A10 PolarHBondContact O-N 2.71Å; R7-L11 WeakPolarHBondContact O-CG 3.38Å; R7-L11 PolarHBondContact O-N 2.78Å |
| 8 | L | 74.9 | Confident | 68.2 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 169.8 | -80.1 | 165.9 | 0 | 0 | 0 | 111.1 | R4 L5 A10 L11 L12 A24 Q27 L28 I31 E2274 | R4-L8 HydrophobicContact CG-CD1 4.45Å; R4-L8 PolarHBondContact O-N 3.34Å; L5-L8 VanDerWaalsContact O-CB 3.3Å; L5-L8 WeakPolarHBondContact O-CB 3.22Å; L5-L8 PolarHBondContact O-N 2.92Å; L8-A10 PolarHBondContact O-N 3.25Å; L8-L11 WeakPolarHBondContact O-CB 3.38Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-L12 PolarHBondContact O-N 2.79Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L8-A24 HydrophobicContact CD2-CB 3.64Å; L8-Q27 HydrophobicContact CD1-CB 4.1Å; L8-Q27 HydrophobicContact CD2-CB 3.82Å; L8-L28 HydrophobicContact CB-CD1 4.4Å; L8-L28 HydrophobicContact CB-CD2 4.03Å; L8-L28 HydrophobicContact CB-CG 4.12Å; L8-L28 HydrophobicContact CD1-CD2 4.03Å; L8-L28 HydrophobicContact CD1-CG 4.2Å; L8-I31 HydrophobicContact CD1-CD1 3.49Å; L8-I31 VanDerWaalsContact CD1-CD1 3.49Å; L8-E2274 HydrophobicContact CD2-CG 3.89Å; L8-E2274 WeakPolarHBondContact CD2-OE1 3.28Å; L8-E2274 HydrophobicContact CG-CG 4.37Å |
| 9 | F | 82.3 | Confident | 68.1 | Low | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 172.2 | -63.3 | -43.8 | 0 | 0 | 0 | 113.5 | L5 D6 L11 L12 E13 L28 V42 C45 L46 L49 | L5-F9 HydrophobicContact CD2-CD2 3.99Å; L5-F9 HydrophobicContact CD2-CE2 3.1Å; L5-F9 HydrophobicContact CD2-CZ 3.43Å; L5-F9 VanDerWaalsContact CD2-CZ 3.43Å; L5-F9 VanDerWaalsContact O-CD2 3.3Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.15Å; L5-F9 VanDerWaalsContact O-N 3.12Å; D6-F9 HydrophobicContact CB-CB 4.32Å; D6-F9 HydrophobicContact CB-CD2 3.84Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 2.61Å; F9-L12 HydrophobicContact CD1-CD1 4.25Å; F9-L12 PolarHBondContact O-N 2.96Å; F9-E13 PolarHBondContact O-N 3.02Å; F9-L28 HydrophobicContact CD1-CD1 3.9Å; F9-L28 HydrophobicContact CE1-CD1 3.59Å; F9-L28 HydrophobicContact CE1-CD2 3.86Å; F9-L28 HydrophobicContact CE1-CG 4.4Å; F9-L28 HydrophobicContact CZ-CD2 4.04Å; F9-V42 HydrophobicContact CZ-CG1 4.14Å; F9-C45 HydrophobicContact CD2-CB 3.63Å; F9-C45 HydrophobicContact CE1-CB 4.46Å; F9-C45 HydrophobicContact CE2-CB 3.02Å; F9-C45 HydrophobicContact CZ-CB 3.54Å; F9-L46 HydrophobicContact CD1-CD2 4.08Å; F9-L46 HydrophobicContact CD1-CG 4.46Å; F9-L46 HydrophobicContact CE1-CD1 4.45Å; F9-L46 HydrophobicContact CE1-CD2 3.63Å; F9-L46 HydrophobicContact CE1-CG 3.63Å; F9-L46 HydrophobicContact CZ-CG 4.21Å; F9-L49 HydrophobicContact CB-CD1 3.98Å; F9-L49 HydrophobicContact CD1-CD1 3.85Å; F9-L49 HydrophobicContact CG-CD1 4.22Å |
| 10 | A | 78.9 | Confident | 68.1 | Low | 43 Ų | 43 | 40.1 Ų | 40.1 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -35.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D6 R7 L8 E13 S14 | D6-A10 WeakPolarHBondContact O-CB 3.49Å; D6-A10 PolarHBondContact O-N 2.85Å; D6-A10 VanDerWaalsContact O-N 3.09Å; R7-A10 PolarHBondContact O-N 2.71Å; L8-A10 PolarHBondContact O-N 3.25Å; A10-E13 PolarHBondContact O-N 3.49Å; A10-S14 PolarHBondContact O-N 3.33Å; A10-S14 PolarHBondContact O-OG 3.32Å |
| 11 | L | 79.5 | Confident | 68.5 | Low | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 172.9 | -73.1 | 173.3 | 0 | 0 | 0 | 111.9 | R7 L8 F9 E13 C15 A24 E2274 | R7-L11 WeakPolarHBondContact O-CG 3.38Å; R7-L11 PolarHBondContact O-N 2.78Å; L8-L11 WeakPolarHBondContact O-CB 3.38Å; L8-L11 PolarHBondContact O-N 3.43Å; F9-L11 VanDerWaalsContact C-N 3.3Å; F9-L11 PolarHBondContact O-N 2.61Å; L11-E13 VanDerWaalsContact C-N 3.29Å; L11-E13 PolarHBondContact O-N 2.6Å; L11-C15 HydrophobicContact CD2-CB 4.35Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.46Å; L11-A24 HydrophobicContact CB-CB 3.95Å; L11-A24 HydrophobicContact CD1-CB 4.36Å; L11-E2274 HydrophobicContact CD1-CG 4.02Å |
| 12 | L | 82.4 | Confident | 70.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -32.7 | 173.2 | -64.6 | 180 | 0 | 0 | 0 | 112.6 | L8 F9 R21 A24 A25 L28 L46 L49 A60 A64 | L8-L12 PolarHBondContact O-N 2.79Å; L8-L12 VanDerWaalsContact O-N 3.08Å; F9-L12 HydrophobicContact CD1-CD1 4.25Å; F9-L12 PolarHBondContact O-N 2.96Å; L12-R21 VanDerWaalsContact CD2-O 3.29Å; L12-R21 WeakPolarHBondContact CD2-O 3.23Å; L12-A24 HydrophobicContact CD2-CB 3.99Å; L12-A24 HydrophobicContact CG-CB 4.29Å; L12-A25 HydrophobicContact CD2-CB 4.09Å; L12-L28 HydrophobicContact CD1-CD1 3.63Å; L12-L46 HydrophobicContact CD1-CD2 4.22Å; L12-L49 HydrophobicContact CB-CD1 4.2Å; L12-L49 HydrophobicContact CD1-CD1 4.33Å; L12-A60 HydrophobicContact CB-CB 4.35Å; L12-A60 HydrophobicContact CD2-CB 3.99Å; L12-A64 HydrophobicContact CD1-CB 3.83Å |
| 13 | E | 82.9 | Confident | 71.9 | Confident | 89 Ų | 89 | 35 Ų | 35 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -73.9 | -54.5 | -178 | -167.5 | -177.6 | 162.5 | 0 | 0 | 112.9 | F9 A10 L11 L49 H52 S57 | F9-E13 PolarHBondContact O-N 3.02Å; A10-E13 PolarHBondContact O-N 3.49Å; L11-E13 VanDerWaalsContact C-N 3.29Å; L11-E13 PolarHBondContact O-N 2.6Å; E13-L49 HydrophobicContact CB-CD2 3.89Å; E13-L49 HydrophobicContact CG-CD2 4.03Å; E13-H52 IonicContact OE1-NE2 2.92Å; E13-S57 PolarHBondContact O-OG 3.46Å |
| 14 | S | 73.6 | Confident | 72.8 | Confident | 97 Ų | 97 | 35.1 Ų | 35.1 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -115.5 | -15.3 | -162.4 | 73.6 | 0 | 0 | 0 | 0 | 116.1 | A10 | A10-S14 PolarHBondContact O-N 3.33Å; A10-S14 PolarHBondContact O-OG 3.32Å |
| 15 | C | 70 | Confident | 74 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 10% | 0.095 | 20% | 0.204 | C | C | . | . | trans | -69.3 | 127.9 | -172.4 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | L11 R21 | L11-C15 HydrophobicContact CD2-CB 4.35Å; L11-C15 WeakPolarHBondContact O-CB 3.37Å; L11-C15 PolarHBondContact O-N 3.46Å; C15-R21 HydrophobicContact CB-CG 4.06Å; C15-R21 WeakPolarHBondContact O-CD 3.21Å; C15-R21 PolarHBondContact O-NH1 3.13Å | ||
| 16 | P | 69.1 | Low | 74.4 | Confident | 101 Ų | 101 | 35 Ų | 35 | 66% | 0.656 | 21% | 0.207 | S | C | * | . | trans | -73.9 | -32.3 | 178.4 | 28.9 | -34.5 | 0 | 0 | 0 | 112.7 | A18 R21 | P16-A18 PolarHBondContact O-N 3.4Å; P16-R21 VanDerWaalsContact C-NH1 3.31Å; P16-R21 PolarHBondContact O-NH1 3.01Å | ||
| 17 | N | 70.4 | Confident | 74.6 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | trans | -73.1 | 115.7 | -177.5 | -179.7 | -21.6 | 0 | 0 | 0 | 110.7 | S19 L20 R21 Q1936 | N17-S19 VanDerWaalsContact C-N 3.35Å; N17-S19 PolarHBondContact O-N 3.43Å; N17-S19 WeakPolarHBondContact OD1-CB 3.25Å; N17-S19 PolarHBondContact OD1-N 3.42Å; N17-L20 HydrophobicContact CB-CB 4.3Å; N17-L20 HydrophobicContact CB-CD1 3.9Å; N17-L20 HydrophobicContact CB-CG 3.87Å; N17-L20 PolarHBondContact O-N 3.23Å; N17-L20 PolarHBondContact OD1-N 2.64Å; N17-R21 PolarHBondContact O-N 3.09Å; N17-Q1936 VanDerWaalsContact CG-NE2 3.31Å; N17-Q1936 PolarHBondContact ND2-NE2 3.14Å; N17-Q1936 VanDerWaalsContact OD1-CD 3.26Å; N17-Q1936 PolarHBondContact OD1-NE2 2.96Å; N17-Q1936 PolarHBondContact OD1-OE1 3.48Å | ||
| 18 | A | 71.9 | Confident | 75.3 | Confident | 45 Ų | 45 | 30.1 Ų | 30.1 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -37.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | P16 L20 R21 T22 | P16-A18 PolarHBondContact O-N 3.4Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 3.09Å; A18-R21 PolarHBondContact O-N 2.98Å; A18-R21 VanDerWaalsContact O-N 3.15Å; A18-T22 PolarHBondContact O-N 2.74Å |
| 19 | S | 66.3 | Low | 75.4 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 33% | 0.329 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.1 | -32.4 | 178.3 | -59 | 0 | 0 | 0 | 0 | 112.6 | N17 A23 Q1936 N2273 | N17-S19 VanDerWaalsContact C-N 3.35Å; N17-S19 PolarHBondContact O-N 3.43Å; N17-S19 WeakPolarHBondContact OD1-CB 3.25Å; N17-S19 PolarHBondContact OD1-N 3.42Å; S19-A23 VanDerWaalsContact O-CB 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.34Å; S19-A23 PolarHBondContact O-N 3.18Å; S19-A23 VanDerWaalsContact O-N 3.15Å; S19-Q1936 PolarHBondContact OG-OE1 2.86Å; S19-N2273 PolarHBondContact O-ND2 2.83Å; S19-N2273 VanDerWaalsContact O-ND2 3.14Å |
| 20 | L | 68.5 | Low | 74.9 | Confident | 17 Ų | 17 | 31.8 Ų | 31.8 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.1 | -37.1 | 173.3 | -58.1 | -176.6 | 0 | 0 | 0 | 111.4 | N17 A18 A24 N2273 | N17-L20 HydrophobicContact CB-CB 4.3Å; N17-L20 HydrophobicContact CB-CD1 3.9Å; N17-L20 HydrophobicContact CB-CG 3.87Å; N17-L20 PolarHBondContact O-N 3.23Å; N17-L20 PolarHBondContact OD1-N 2.64Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 3.09Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.13Å; L20-N2273 HydrophobicContact CD2-CB 3.45Å; L20-N2273 VanDerWaalsContact CD2-CB 3.45Å; L20-N2273 VanDerWaalsContact CD2-CG 3.41Å |
| 21 | R | 76.8 | Confident | 74.6 | Confident | 40 Ų | 40 | 30 Ų | 30 | 15% | 0.151 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | 176.5 | -65.9 | -166.2 | -55.3 | -87.5 | -4.2 | 112.8 | L12 C15 P16 N17 A18 A23 A24 A25 | L12-R21 VanDerWaalsContact CD2-O 3.29Å; L12-R21 WeakPolarHBondContact CD2-O 3.23Å; C15-R21 HydrophobicContact CB-CG 4.06Å; C15-R21 WeakPolarHBondContact O-CD 3.21Å; C15-R21 PolarHBondContact O-NH1 3.13Å; P16-R21 VanDerWaalsContact C-NH1 3.31Å; P16-R21 PolarHBondContact O-NH1 3.01Å; N17-R21 PolarHBondContact O-N 3.09Å; A18-R21 PolarHBondContact O-N 2.98Å; A18-R21 VanDerWaalsContact O-N 3.15Å; R21-A23 VanDerWaalsContact C-N 3.33Å; R21-A23 PolarHBondContact O-N 3.16Å; R21-A24 PolarHBondContact O-N 2.81Å; R21-A25 PolarHBondContact O-N 3.43Å |
| 22 | T | 75.4 | Confident | 74.2 | Confident | 41 Ų | 41 | 28.2 Ų | 28.2 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 176 | -65 | 0 | 0 | 0 | 0 | 111.1 | A18 A24 A25 E26 E63 | A18-T22 PolarHBondContact O-N 2.74Å; T22-A24 PolarHBondContact O-N 3.49Å; T22-A25 WeakPolarHBondContact O-CB 3.47Å; T22-A25 PolarHBondContact O-N 3.35Å; T22-E26 HydrophobicContact CG2-CG 4.47Å; T22-E26 VanDerWaalsContact O-CG 3.31Å; T22-E26 WeakPolarHBondContact O-CG 3.28Å; T22-E26 PolarHBondContact O-N 3.21Å; T22-E63 WeakPolarHBondContact CB-OE1 3.39Å; T22-E63 VanDerWaalsContact CG2-OE1 3.23Å; T22-E63 WeakPolarHBondContact CG2-OE1 3.46Å; T22-E63 PolarHBondContact OG1-OE1 3.44Å |
| 23 | A | 67.6 | Low | 73.6 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S19 R21 A25 E26 Q27 K2270 N2273 | S19-A23 VanDerWaalsContact O-CB 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.34Å; S19-A23 PolarHBondContact O-N 3.18Å; S19-A23 VanDerWaalsContact O-N 3.15Å; R21-A23 VanDerWaalsContact C-N 3.33Å; R21-A23 PolarHBondContact O-N 3.16Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A23-E26 PolarHBondContact O-N 3.26Å; A23-Q27 WeakPolarHBondContact O-CG 3.21Å; A23-Q27 PolarHBondContact O-N 3.27Å; A23-K2270 WeakPolarHBondContact CB-O 3.41Å; A23-N2273 HydrophobicContact CB-CB 3.66Å; A23-N2273 WeakPolarHBondContact CB-ND2 3.41Å |
| 24 | A | 76 | Confident | 72.8 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -38.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L8 L11 L12 L20 R21 T22 Q27 L28 | L8-A24 HydrophobicContact CD2-CB 3.64Å; L11-A24 HydrophobicContact CB-CB 3.95Å; L11-A24 HydrophobicContact CD1-CB 4.36Å; L12-A24 HydrophobicContact CD2-CB 3.99Å; L12-A24 HydrophobicContact CG-CB 4.29Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 3.13Å; R21-A24 PolarHBondContact O-N 2.81Å; T22-A24 PolarHBondContact O-N 3.49Å; A24-Q27 PolarHBondContact O-N 2.95Å; A24-L28 WeakPolarHBondContact O-CG 3.27Å; A24-L28 PolarHBondContact O-N 2.94Å; A24-L28 VanDerWaalsContact O-N 3.14Å |
| 25 | A | 82.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L12 R21 T22 A23 G29 E63 A64 H67 | L12-A25 HydrophobicContact CD2-CB 4.09Å; R21-A25 PolarHBondContact O-N 3.43Å; T22-A25 WeakPolarHBondContact O-CB 3.47Å; T22-A25 PolarHBondContact O-N 3.35Å; A23-A25 VanDerWaalsContact C-N 3.34Å; A25-G29 PolarHBondContact O-N 3.35Å; A25-E63 HydrophobicContact CB-CG 4.32Å; A25-A64 HydrophobicContact CB-CB 3.89Å; A25-H67 VanDerWaalsContact O-CB 3.3Å; A25-H67 WeakPolarHBondContact O-CB 3.47Å |
| 26 | E | 77.9 | Confident | 72.1 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 176.5 | -72.7 | 173.1 | 146.5 | 0 | 0 | 112.4 | T22 A23 L28 G29 E30 H67 K2270 | T22-E26 HydrophobicContact CG2-CG 4.47Å; T22-E26 VanDerWaalsContact O-CG 3.31Å; T22-E26 WeakPolarHBondContact O-CG 3.28Å; T22-E26 PolarHBondContact O-N 3.21Å; A23-E26 PolarHBondContact O-N 3.26Å; E26-L28 PolarHBondContact O-N 3.49Å; E26-G29 WeakPolarHBondContact O-CA 3.19Å; E26-G29 PolarHBondContact O-N 3.23Å; E26-E30 PolarHBondContact O-N 3Å; E26-H67 IonicContact OE1-NE2 2.69Å; E26-K2270 HydrophobicContact CB-CB 4.27Å; E26-K2270 HydrophobicContact CB-CD 4.1Å; E26-K2270 VanDerWaalsContact CD-CD 3.43Å; E26-K2270 VanDerWaalsContact CD-CE 3.49Å; E26-K2270 VanDerWaalsContact CD-NZ 3.33Å; E26-K2270 HydrophobicContact CG-CD 4.13Å; E26-K2270 WeakPolarHBondContact OE1-CE 3.39Å; E26-K2270 IonicContact OE1-NZ 3.81Å; E26-K2270 PolarHBondContact OE1-NZ 3.13Å; E26-K2270 VanDerWaalsContact OE2-CD 3.23Å; E26-K2270 WeakPolarHBondContact OE2-CD 3.5Å; E26-K2270 VanDerWaalsContact OE2-CG 3.27Å; E26-K2270 WeakPolarHBondContact OE2-CG 3.26Å; E26-K2270 IonicContact OE2-NZ 3.69Å |
| 27 | Q | 73.9 | Confident | 72 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.2 | -75.2 | -62.1 | -75.4 | 0 | 0 | 113 | L8 A23 A24 G29 E30 I31 S2271 E2274 | L8-Q27 HydrophobicContact CD1-CB 4.1Å; L8-Q27 HydrophobicContact CD2-CB 3.82Å; A23-Q27 WeakPolarHBondContact O-CG 3.21Å; A23-Q27 PolarHBondContact O-N 3.27Å; A24-Q27 PolarHBondContact O-N 2.95Å; Q27-G29 PolarHBondContact O-N 3.05Å; Q27-E30 PolarHBondContact NE2-OE1 2.98Å; Q27-E30 VanDerWaalsContact NE2-OE1 3.1Å; Q27-E30 PolarHBondContact NE2-OE2 3.39Å; Q27-E30 PolarHBondContact O-N 3.13Å; Q27-I31 WeakPolarHBondContact O-CD1 3.42Å; Q27-I31 VanDerWaalsContact O-CG1 3.26Å; Q27-I31 WeakPolarHBondContact O-CG1 3.07Å; Q27-I31 PolarHBondContact O-N 3.34Å; Q27-S2271 VanDerWaalsContact CD-CA 3.44Å; Q27-S2271 VanDerWaalsContact CD-CB 3.47Å; Q27-E2274 WeakPolarHBondContact CG-OE1 3.26Å |
| 28 | L | 79.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -30.6 | 171.7 | -70.7 | 165.6 | 0 | 0 | 0 | 112.2 | L5 L8 F9 L12 A24 E26 A32 V42 A64 I68 | L5-L28 HydrophobicContact CD2-CD2 4.11Å; L5-L28 HydrophobicContact CG-CD2 4.41Å; L8-L28 HydrophobicContact CB-CD1 4.4Å; L8-L28 HydrophobicContact CB-CD2 4.03Å; L8-L28 HydrophobicContact CB-CG 4.12Å; L8-L28 HydrophobicContact CD1-CD2 4.03Å; L8-L28 HydrophobicContact CD1-CG 4.2Å; F9-L28 HydrophobicContact CD1-CD1 3.9Å; F9-L28 HydrophobicContact CE1-CD1 3.59Å; F9-L28 HydrophobicContact CE1-CD2 3.86Å; F9-L28 HydrophobicContact CE1-CG 4.4Å; F9-L28 HydrophobicContact CZ-CD2 4.04Å; L12-L28 HydrophobicContact CD1-CD1 3.63Å; A24-L28 WeakPolarHBondContact O-CG 3.27Å; A24-L28 PolarHBondContact O-N 2.94Å; A24-L28 VanDerWaalsContact O-N 3.14Å; E26-L28 PolarHBondContact O-N 3.49Å; L28-A32 PolarHBondContact O-N 3.21Å; L28-A32 VanDerWaalsContact O-N 3.14Å; L28-V42 HydrophobicContact CD2-CG1 4.43Å; L28-A64 HydrophobicContact CD1-CB 4.11Å; L28-I68 HydrophobicContact CB-CD1 4.45Å |
| 29 | G | 77.9 | Confident | 72 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.4 | -42.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A25 E26 Q27 I31 A32 K33 H71 | A25-G29 PolarHBondContact O-N 3.35Å; E26-G29 WeakPolarHBondContact O-CA 3.19Å; E26-G29 PolarHBondContact O-N 3.23Å; Q27-G29 PolarHBondContact O-N 3.05Å; G29-I31 VanDerWaalsContact C-N 3.34Å; G29-I31 PolarHBondContact O-N 3.38Å; G29-A32 PolarHBondContact O-N 3.25Å; G29-K33 PolarHBondContact O-N 3.16Å; G29-K33 VanDerWaalsContact O-N 3.12Å; G29-H71 WeakPolarHBondContact O-CB 3.22Å |
| 30 | E | 72.4 | Confident | 72.3 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 174.3 | -72.6 | 173.2 | -149.2 | 0 | 0 | 112.3 | E26 Q27 K33 S34 | E26-E30 PolarHBondContact O-N 3Å; Q27-E30 PolarHBondContact NE2-OE1 2.98Å; Q27-E30 VanDerWaalsContact NE2-OE1 3.1Å; Q27-E30 PolarHBondContact NE2-OE2 3.39Å; Q27-E30 PolarHBondContact O-N 3.13Å; E30-K33 VanDerWaalsContact O-CB 3.28Å; E30-K33 WeakPolarHBondContact O-CB 3.29Å; E30-K33 PolarHBondContact O-N 3.45Å; E30-S34 PolarHBondContact O-N 3.36Å; E30-S34 VanDerWaalsContact O-N 3.13Å |
| 31 | I | 72.4 | Confident | 72.8 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 174.9 | -66.1 | 159.2 | 0 | 0 | 0 | 111.1 | L8 Q27 G29 K33 S34 S35 D2319 | L8-I31 HydrophobicContact CD1-CD1 3.49Å; L8-I31 VanDerWaalsContact CD1-CD1 3.49Å; Q27-I31 WeakPolarHBondContact O-CD1 3.42Å; Q27-I31 VanDerWaalsContact O-CG1 3.26Å; Q27-I31 WeakPolarHBondContact O-CG1 3.07Å; Q27-I31 PolarHBondContact O-N 3.34Å; G29-I31 VanDerWaalsContact C-N 3.34Å; G29-I31 PolarHBondContact O-N 3.38Å; I31-K33 PolarHBondContact O-N 3.23Å; I31-S34 PolarHBondContact O-N 2.81Å; I31-S34 PolarHBondContact O-OG 3.24Å; I31-S35 PolarHBondContact O-N 2.65Å; I31-S35 VanDerWaalsContact O-N 3.09Å; I31-D2319 VanDerWaalsContact CD1-CG 3.43Å; I31-D2319 WeakPolarHBondContact CD1-OD1 3.3Å; I31-D2319 VanDerWaalsContact CD1-OD2 3.3Å; I31-D2319 WeakPolarHBondContact CD1-OD2 3.43Å; I31-D2319 WeakPolarHBondContact CG1-OD2 3.4Å; I31-D2319 HydrophobicContact CG2-CB 4.4Å |
| 32 | A | 70.6 | Confident | 73 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -27.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L28 G29 I68 | L28-A32 PolarHBondContact O-N 3.21Å; L28-A32 VanDerWaalsContact O-N 3.14Å; G29-A32 PolarHBondContact O-N 3.25Å; A32-I68 HydrophobicContact CB-CB 4.43Å; A32-I68 HydrophobicContact CB-CG1 4.27Å; A32-I68 HydrophobicContact CB-CG2 3.88Å |
| 33 | K | 70.3 | Confident | 73.4 | Confident | 139 Ų | 139 | 35.9 Ų | 35.9 | 60% | 0.604 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -70.7 | -44.2 | 173.5 | -166.2 | -173.5 | 174.5 | -171.5 | 0 | 112.5 | G29 E30 I31 H71 | G29-K33 PolarHBondContact O-N 3.16Å; G29-K33 VanDerWaalsContact O-N 3.12Å; E30-K33 VanDerWaalsContact O-CB 3.28Å; E30-K33 WeakPolarHBondContact O-CB 3.29Å; E30-K33 PolarHBondContact O-N 3.45Å; I31-K33 PolarHBondContact O-N 3.23Å; K33-H71 HydrophobicContact CB-CB 4.18Å |
| 34 | S | 66.4 | Low | 74.1 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -81.5 | -21.1 | -174.7 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | E30 I31 | E30-S34 PolarHBondContact O-N 3.36Å; E30-S34 VanDerWaalsContact O-N 3.13Å; I31-S34 PolarHBondContact O-N 2.81Å; I31-S34 PolarHBondContact O-OG 3.24Å |
| 35 | S | 64.7 | Low | 74.4 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | trans | -143.3 | 77.6 | 175.1 | -65.5 | 0 | 0 | 0 | 0 | 111.9 | I31 S37 S38 N2317 | I31-S35 PolarHBondContact O-N 2.65Å; I31-S35 VanDerWaalsContact O-N 3.09Å; S35-S37 PolarHBondContact O-N 3.31Å; S35-S37 VanDerWaalsContact O-N 3.12Å; S35-S38 PolarHBondContact O-N 3.05Å; S35-N2317 WeakPolarHBondContact CB-ND2 3.42Å; S35-N2317 PolarHBondContact OG-ND2 3.28Å | ||
| 36 | P | 64 | Low | 74.6 | Confident | 60 Ų | 60 | 40.6 Ų | 40.6 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -57.6 | -26.7 | -179.8 | -26.2 | 35.6 | 0 | 0 | 0 | 114.2 | S38 I39 | P36-S38 PolarHBondContact O-N 3.47Å; P36-I39 WeakPolarHBondContact O-CG2 3.26Å; P36-I39 PolarHBondContact O-N 3.33Å |
| 37 | S | 65.9 | Low | 75.1 | Confident | 110 Ų | 110 | 40.4 Ų | 40.4 | 77% | 0.769 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62.7 | -23.5 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | S35 | S35-S37 PolarHBondContact O-N 3.31Å; S35-S37 VanDerWaalsContact O-N 3.12Å |
| 38 | S | 66.8 | Low | 75.7 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -89.3 | 0.3 | -177.3 | -61.2 | 0 | 0 | 0 | 0 | 114 | S35 P36 D40 Y41 V42 | S35-S38 PolarHBondContact O-N 3.05Å; P36-S38 PolarHBondContact O-N 3.47Å; S38-D40 VanDerWaalsContact C-N 3.34Å; S38-D40 PolarHBondContact O-N 3.31Å; S38-Y41 WeakPolarHBondContact O-CB 3.49Å; S38-Y41 PolarHBondContact O-N 3.33Å; S38-Y41 VanDerWaalsContact O-N 3.1Å; S38-V42 PolarHBondContact O-N 3.14Å |
| 39 | I | 76.4 | Confident | 76.1 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | -172 | -173.9 | 154.4 | 0 | 0 | 0 | 113.9 | P36 Y41 V42 F43 I68 L72 L276 | P36-I39 WeakPolarHBondContact O-CG2 3.26Å; P36-I39 PolarHBondContact O-N 3.33Å; I39-Y41 VanDerWaalsContact C-N 3.25Å; I39-Y41 PolarHBondContact O-N 2.99Å; I39-V42 PolarHBondContact O-N 3.45Å; I39-F43 HydrophobicContact CD1-CD2 4.28Å; I39-F43 HydrophobicContact CD1-CE2 3.49Å; I39-F43 VanDerWaalsContact CD1-CE2 3.49Å; I39-F43 HydrophobicContact CD1-CZ 3.77Å; I39-F43 HydrophobicContact CG1-CD2 3.62Å; I39-F43 HydrophobicContact CG1-CE2 3.33Å; I39-F43 HydrophobicContact CG1-CG 4.4Å; I39-F43 HydrophobicContact CG1-CZ 3.92Å; I39-F43 PolarHBondContact O-N 3.47Å; I39-I68 HydrophobicContact CD1-CG2 3.87Å; I39-I68 HydrophobicContact CG1-CG2 4.49Å; I39-L72 HydrophobicContact CD1-CD1 3.43Å; I39-L72 VanDerWaalsContact CD1-CD1 3.43Å; I39-L72 HydrophobicContact CD1-CD2 3.54Å; I39-L72 HydrophobicContact CD1-CG 4Å; I39-L276 HydrophobicContact CD1-CD2 4.18Å |
| 40 | D | 72.6 | Confident | 76.6 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.2 | -35.2 | 178 | -99.1 | 30.3 | 0 | 0 | 0 | 112 | S38 T44 R278 | S38-D40 VanDerWaalsContact C-N 3.34Å; S38-D40 PolarHBondContact O-N 3.31Å; D40-T44 VanDerWaalsContact O-CB 3.31Å; D40-T44 WeakPolarHBondContact O-CB 3.43Å; D40-T44 PolarHBondContact O-N 2.87Å; D40-T44 PolarHBondContact O-OG1 3.03Å; D40-R278 IonicContact OD2-CZ 3.62Å; D40-R278 IonicContact OD2-NH1 2.7Å; D40-R278 PolarHBondContact OD2-NH1 3.3Å |
| 41 | Y | 77.6 | Confident | 77.4 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.8 | -45.1 | 175.6 | 179.9 | -98.1 | 0 | 0 | 0 | 111.5 | L5 S38 I39 F43 T44 C45 | L5-Y41 HydrophobicContact CD1-CD1 4.01Å; L5-Y41 HydrophobicContact CD1-CE1 4.04Å; L5-Y41 HydrophobicContact CD2-CD1 4.4Å; L5-Y41 HydrophobicContact CD2-CE1 4.13Å; S38-Y41 WeakPolarHBondContact O-CB 3.49Å; S38-Y41 PolarHBondContact O-N 3.33Å; S38-Y41 VanDerWaalsContact O-N 3.1Å; I39-Y41 VanDerWaalsContact C-N 3.25Å; I39-Y41 PolarHBondContact O-N 2.99Å; Y41-F43 VanDerWaalsContact C-N 3.33Å; Y41-F43 PolarHBondContact O-N 3.02Å; Y41-T44 PolarHBondContact O-N 3.34Å; Y41-C45 PolarHBondContact O-N 2.97Å; Y41-C45 VanDerWaalsContact O-N 3.1Å; Y41-C45 PolarHBondContact O-SG 3.24Å |
| 42 | V | 81.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | L5 F9 L28 S38 I39 C45 L46 I68 | L5-V42 HydrophobicContact CD1-CG2 4.22Å; L5-V42 HydrophobicContact CD2-CG2 4.34Å; F9-V42 HydrophobicContact CZ-CG1 4.14Å; L28-V42 HydrophobicContact CD2-CG1 4.43Å; S38-V42 PolarHBondContact O-N 3.14Å; I39-V42 PolarHBondContact O-N 3.45Å; V42-C45 PolarHBondContact O-N 3.4Å; V42-L46 HydrophobicContact CG1-CD1 4.09Å; V42-L46 WeakPolarHBondContact O-CG 3.24Å; V42-L46 PolarHBondContact O-N 3.3Å; V42-L46 VanDerWaalsContact O-N 3.08Å; V42-I68 HydrophobicContact CG1-CD1 3.57Å |
| 43 | F | 84.5 | Confident | 78.7 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.1 | -73.8 | -34 | 0 | 0 | 0 | 113.4 | I39 Y41 C45 L46 I47 I65 I68 L276 M279 L305 | I39-F43 HydrophobicContact CD1-CD2 4.28Å; I39-F43 HydrophobicContact CD1-CE2 3.49Å; I39-F43 VanDerWaalsContact CD1-CE2 3.49Å; I39-F43 HydrophobicContact CD1-CZ 3.77Å; I39-F43 HydrophobicContact CG1-CD2 3.62Å; I39-F43 HydrophobicContact CG1-CE2 3.33Å; I39-F43 HydrophobicContact CG1-CG 4.4Å; I39-F43 HydrophobicContact CG1-CZ 3.92Å; I39-F43 PolarHBondContact O-N 3.47Å; Y41-F43 VanDerWaalsContact C-N 3.33Å; Y41-F43 PolarHBondContact O-N 3.02Å; F43-C45 PolarHBondContact O-N 3.42Å; F43-L46 HydrophobicContact CD1-CD1 4.17Å; F43-L46 PolarHBondContact O-N 3.43Å; F43-L46 VanDerWaalsContact O-N 3.08Å; F43-I47 WeakPolarHBondContact O-CG1 3.44Å; F43-I47 PolarHBondContact O-N 3.04Å; F43-I47 VanDerWaalsContact O-N 3.09Å; F43-I65 HydrophobicContact CE1-CG1 4.34Å; F43-I68 HydrophobicContact CE1-CB 4.48Å; F43-I68 HydrophobicContact CE1-CD1 4.24Å; F43-I68 HydrophobicContact CE1-CG2 3.88Å; F43-I68 HydrophobicContact CZ-CG2 3.83Å; F43-L276 HydrophobicContact CE2-CD2 3.53Å; F43-L276 HydrophobicContact CZ-CD2 3.89Å; F43-M279 HydrophobicContact CB-CE 3.84Å; F43-M279 HydrophobicContact CB-CG 4.37Å; F43-M279 HydrophobicContact CB-SD 3.84Å; F43-M279 HydrophobicContact CD1-CE 3.69Å; F43-M279 HydrophobicContact CD1-CG 4.28Å; F43-M279 HydrophobicContact CD1-SD 4.43Å; F43-M279 HydrophobicContact CD2-CB 4.06Å; F43-M279 HydrophobicContact CD2-CG 4.08Å; F43-M279 HydrophobicContact CE1-CE 4.46Å; F43-M279 HydrophobicContact CE2-CB 4.35Å; F43-M279 HydrophobicContact CE2-CG 4.39Å; F43-M279 HydrophobicContact CG-CB 4.44Å; F43-M279 HydrophobicContact CG-CE 3.91Å; F43-M279 HydrophobicContact CG-CG 4.02Å; F43-M279 HydrophobicContact CG-SD 4.09Å; F43-L305 HydrophobicContact CZ-CD1 4.26Å |
| 44 | T | 81.5 | Confident | 79.4 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.2 | -36.9 | 175.5 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | D40 Y41 P48 | D40-T44 VanDerWaalsContact O-CB 3.31Å; D40-T44 WeakPolarHBondContact O-CB 3.43Å; D40-T44 PolarHBondContact O-N 2.87Å; D40-T44 PolarHBondContact O-OG1 3.03Å; Y41-T44 PolarHBondContact O-N 3.34Å; T44-P48 WeakPolarHBondContact O-CD 3.5Å |
| 45 | C | 82.4 | Confident | 80.2 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.7 | -22.7 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 114.3 | F9 Y41 V42 F43 P48 | F9-C45 HydrophobicContact CD2-CB 3.63Å; F9-C45 HydrophobicContact CE1-CB 4.46Å; F9-C45 HydrophobicContact CE2-CB 3.02Å; F9-C45 HydrophobicContact CZ-CB 3.54Å; Y41-C45 PolarHBondContact O-N 2.97Å; Y41-C45 VanDerWaalsContact O-N 3.1Å; Y41-C45 PolarHBondContact O-SG 3.24Å; V42-C45 PolarHBondContact O-N 3.4Å; F43-C45 PolarHBondContact O-N 3.42Å; C45-P48 WeakPolarHBondContact O-CD 3.41Å |
| 46 | L | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.3 | -29.9 | 173.2 | -78 | 166.6 | 0 | 0 | 0 | 113.3 | F9 L12 V42 F43 L49 L50 A61 A64 I65 I68 | F9-L46 HydrophobicContact CD1-CD2 4.08Å; F9-L46 HydrophobicContact CD1-CG 4.46Å; F9-L46 HydrophobicContact CE1-CD1 4.45Å; F9-L46 HydrophobicContact CE1-CD2 3.63Å; F9-L46 HydrophobicContact CE1-CG 3.63Å; F9-L46 HydrophobicContact CZ-CG 4.21Å; L12-L46 HydrophobicContact CD1-CD2 4.22Å; V42-L46 HydrophobicContact CG1-CD1 4.09Å; V42-L46 WeakPolarHBondContact O-CG 3.24Å; V42-L46 PolarHBondContact O-N 3.3Å; V42-L46 VanDerWaalsContact O-N 3.08Å; F43-L46 HydrophobicContact CD1-CD1 4.17Å; F43-L46 PolarHBondContact O-N 3.43Å; F43-L46 VanDerWaalsContact O-N 3.08Å; L46-L49 HydrophobicContact CD2-CD1 4.37Å; L46-L49 PolarHBondContact O-N 2.93Å; L46-L50 PolarHBondContact O-N 3.34Å; L46-A61 HydrophobicContact CD2-CB 4.14Å; L46-A64 HydrophobicContact CD1-CB 4.45Å; L46-A64 HydrophobicContact CD2-CB 3.92Å; L46-I65 HydrophobicContact CD1-CG1 4.01Å; L46-I68 HydrophobicContact CD1-CD1 3.49Å; L46-I68 VanDerWaalsContact CD1-CD1 3.49Å |
| 47 | I | 87.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 179.2 | -71.4 | 162.2 | 0 | 0 | 0 | 112.3 | F43 L49 L50 R51 M279 T282 | F43-I47 WeakPolarHBondContact O-CG1 3.44Å; F43-I47 PolarHBondContact O-N 3.04Å; F43-I47 VanDerWaalsContact O-N 3.09Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 3.26Å; I47-L50 PolarHBondContact O-N 2.64Å; I47-R51 VanDerWaalsContact CG2-CZ 3.46Å; I47-R51 WeakPolarHBondContact O-CG 3.33Å; I47-R51 PolarHBondContact O-N 3.31Å; I47-M279 HydrophobicContact CD1-SD 3.84Å; I47-M279 HydrophobicContact CG1-CE 3.92Å; I47-M279 HydrophobicContact CG1-SD 3.86Å; I47-T282 HydrophobicContact CD1-CG2 4.04Å |
| 48 | P | 86.9 | Confident | 83.4 | Confident | 77 Ų | 77 | 44.7 Ų | 44.7 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.1 | -39.9 | 171.4 | -29.4 | 35 | 0 | 0 | 0 | 114.5 | T44 C45 R51 H52 | T44-P48 WeakPolarHBondContact O-CD 3.5Å; C45-P48 WeakPolarHBondContact O-CD 3.41Å; P48-R51 CarbonylContact O-C 3.56Å; P48-R51 PolarHBondContact O-N 2.92Å; P48-H52 PolarHBondContact O-N 2.93Å; P48-H52 VanDerWaalsContact O-N 3.11Å |
| 49 | L | 88 | Confident | 84.4 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.4 | -34.5 | 179.5 | -65.8 | 176.3 | 0 | 0 | 0 | 112.6 | F9 L12 E13 L46 I47 R51 H52 A61 | F9-L49 HydrophobicContact CB-CD1 3.98Å; F9-L49 HydrophobicContact CD1-CD1 3.85Å; F9-L49 HydrophobicContact CG-CD1 4.22Å; L12-L49 HydrophobicContact CB-CD1 4.2Å; L12-L49 HydrophobicContact CD1-CD1 4.33Å; E13-L49 HydrophobicContact CB-CD2 3.89Å; E13-L49 HydrophobicContact CG-CD2 4.03Å; L46-L49 HydrophobicContact CD2-CD1 4.37Å; L46-L49 PolarHBondContact O-N 2.93Å; I47-L49 VanDerWaalsContact C-N 3.3Å; I47-L49 PolarHBondContact O-N 3.26Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3.36Å; L49-H52 WeakPolarHBondContact O-CB 3.43Å; L49-H52 PolarHBondContact O-N 3.49Å; L49-A61 HydrophobicContact CB-CB 3.64Å |
| 50 | L | 89.4 | Confident | 85 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -34 | 168.7 | -68.6 | 178.9 | 0 | 0 | 0 | 111.9 | L46 I47 H52 R58 A61 I65 L283 G297 | L46-L50 PolarHBondContact O-N 3.34Å; I47-L50 PolarHBondContact O-N 2.64Å; L50-H52 VanDerWaalsContact C-N 3.27Å; L50-H52 PolarHBondContact O-N 3.29Å; L50-R58 WeakPolarHBondContact O-CD 3.46Å; L50-R58 VanDerWaalsContact O-CG 3.32Å; L50-R58 WeakPolarHBondContact O-CG 3.29Å; L50-A61 HydrophobicContact CD2-CB 3.84Å; L50-A61 HydrophobicContact CG-CB 4.22Å; L50-I65 HydrophobicContact CD1-CD1 3.72Å; L50-I65 HydrophobicContact CD2-CD1 4.34Å; L50-I65 HydrophobicContact CG-CD1 4.37Å; L50-L283 HydrophobicContact CD1-CD1 4.37Å; L50-L283 HydrophobicContact CD1-CD2 3.63Å; L50-G297 WeakPolarHBondContact O-CA 3.39Å |
| 51 | R | 89 | Confident | 85.9 | Confident | 90 Ų | 90 | 41.3 Ų | 41.3 | 34% | 0.34 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.9 | 176.4 | -65.9 | 173.6 | 177.5 | 175.6 | -1.1 | 113.6 | I47 P48 L49 D286 T294 | I47-R51 VanDerWaalsContact CG2-CZ 3.46Å; I47-R51 WeakPolarHBondContact O-CG 3.33Å; I47-R51 PolarHBondContact O-N 3.31Å; P48-R51 CarbonylContact O-C 3.56Å; P48-R51 PolarHBondContact O-N 2.92Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 3.36Å; R51-D286 IonicContact CZ-OD1 2.71Å; R51-D286 IonicContact CZ-OD2 2.76Å; R51-D286 IonicContact NE-OD1 3.27Å; R51-D286 IonicContact NE-OD2 3.54Å; R51-D286 PolarHBondContact NE-OD2 2.92Å; R51-D286 IonicContact NH2-OD1 3.79Å; R51-D286 PolarHBondContact NH2-OD1 3.1Å; R51-D286 IonicContact NH2-OD2 2.71Å; R51-D286 PolarHBondContact NH2-OD2 2.79Å; R51-T294 HydrophobicContact CG-CG2 3.88Å |
| 52 | H | 86.5 | Confident | 86.5 | Confident | 57 Ų | 57 | 36 Ų | 36 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | trans | -72.2 | 150.7 | -172.8 | -167.1 | -116 | 0 | 0 | 0 | 113.2 | E13 P48 L49 L50 N54 S57 R58 | E13-H52 IonicContact OE1-NE2 2.92Å; P48-H52 PolarHBondContact O-N 2.93Å; P48-H52 VanDerWaalsContact O-N 3.11Å; L49-H52 WeakPolarHBondContact O-CB 3.43Å; L49-H52 PolarHBondContact O-N 3.49Å; L50-H52 VanDerWaalsContact C-N 3.27Å; L50-H52 PolarHBondContact O-N 3.29Å; H52-N54 WeakPolarHBondContact ND1-CB 3.46Å; H52-N54 PolarHBondContact ND1-N 3.15Å; H52-S57 WeakPolarHBondContact ND1-CB 3.48Å; H52-S57 PolarHBondContact ND1-OG 3.42Å; H52-R58 VanDerWaalsContact O-CD 3.26Å; H52-R58 WeakPolarHBondContact O-CD 3Å; H52-R58 VanDerWaalsContact O-CG 3.24Å; H52-R58 WeakPolarHBondContact O-CG 3.06Å; H52-R58 PolarHBondContact O-NH1 2.87Å | ||
| 53 | K | 84.5 | Confident | 86.9 | Confident | 93 Ų | 93 | 38.1 Ų | 38.1 | 40% | 0.404 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -71.3 | -33.8 | -178 | -73.6 | -173.9 | 173.1 | -90.8 | 0 | 113.5 | W55 R58 D117 E293 | K53-W55 PolarHBondContact O-N 3.48Å; K53-R58 VanDerWaalsContact C-NH1 3.29Å; K53-R58 PolarHBondContact O-NH1 2.87Å; K53-D117 IonicContact NZ-OD1 2.75Å; K53-D117 PolarHBondContact NZ-OD1 2.84Å; K53-D117 IonicContact NZ-OD2 3.75Å; K53-D117 PolarHBondContact NZ-OD2 2.92Å; K53-D117 VanDerWaalsContact NZ-OD2 3.08Å; K53-E293 IonicContact NZ-OE1 3.59Å |
| 54 | N | 83.8 | Confident | 87.2 | Confident | 71 Ų | 71 | 37.7 Ų | 37.7 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -73 | 122.5 | 177.2 | 179.1 | 8.8 | 0 | 0 | 0 | 111.3 | H52 V56 S57 R58 | H52-N54 WeakPolarHBondContact ND1-CB 3.46Å; H52-N54 PolarHBondContact ND1-N 3.15Å; N54-V56 VanDerWaalsContact C-N 3.27Å; N54-V56 PolarHBondContact O-N 3.26Å; N54-V56 PolarHBondContact OD1-N 3.16Å; N54-S57 WeakPolarHBondContact CB-OG 3.33Å; N54-S57 PolarHBondContact ND2-OG 3.3Å; N54-S57 VanDerWaalsContact ND2-OG 3.14Å; N54-S57 PolarHBondContact O-N 2.62Å; N54-R58 PolarHBondContact O-N 3.38Å |
| 55 | W | 83.9 | Confident | 87.6 | Confident | 107 Ų | 107 | 34 Ų | 34 | 41% | 0.405 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -50.8 | -45.1 | 174.1 | 179.6 | -83.2 | 0 | 0 | 0 | 112.7 | K53 S57 R58 V59 W292 H296 P361 | K53-W55 PolarHBondContact O-N 3.48Å; W55-S57 PolarHBondContact O-N 3.21Å; W55-R58 PolarHBondContact O-N 3.48Å; W55-V59 WeakPolarHBondContact O-CG2 3.36Å; W55-V59 PolarHBondContact O-N 2.66Å; W55-W292 HydrophobicContact CE3-CH2 4.36Å; W55-W292 HydrophobicContact CZ3-CH2 4.44Å; W55-W292 HydrophobicContact CZ3-CZ3 4.33Å; W55-H296 AromaticContact CH2-CD2 3.83Å; W55-H296 AromaticContact CH2-NE2 3.19Å; W55-H296 WeakPolarHBondContact CH2-NE2 3.39Å; W55-H296 AromaticContact CZ2-NE2 3.73Å; W55-H296 AromaticContact CZ3-CD2 3.7Å; W55-H296 AromaticContact CZ3-NE2 3.39Å; W55-H296 WeakPolarHBondContact CZ3-NE2 3.21Å; W55-P361 HydrophobicContact CH2-CB 3.97Å; W55-P361 HydrophobicContact CZ3-CB 3.77Å |
| 56 | V | 85.4 | Confident | 88 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 33% | 0.333 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.5 | -40.2 | -175.5 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | N54 V59 A60 | N54-V56 VanDerWaalsContact C-N 3.27Å; N54-V56 PolarHBondContact O-N 3.26Å; N54-V56 PolarHBondContact OD1-N 3.16Å; V56-V59 PolarHBondContact O-N 3.27Å; V56-A60 VanDerWaalsContact O-CB 3.29Å; V56-A60 WeakPolarHBondContact O-CB 3.34Å; V56-A60 PolarHBondContact O-N 3.39Å |
| 57 | S | 86.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 177 | -38.6 | 0 | 0 | 0 | 0 | 111.6 | E13 H52 N54 W55 A60 A61 | E13-S57 PolarHBondContact O-OG 3.46Å; H52-S57 WeakPolarHBondContact ND1-CB 3.48Å; H52-S57 PolarHBondContact ND1-OG 3.42Å; N54-S57 WeakPolarHBondContact CB-OG 3.33Å; N54-S57 PolarHBondContact ND2-OG 3.3Å; N54-S57 VanDerWaalsContact ND2-OG 3.14Å; N54-S57 PolarHBondContact O-N 2.62Å; W55-S57 PolarHBondContact O-N 3.21Å; S57-A60 PolarHBondContact O-N 3.02Å; S57-A61 WeakPolarHBondContact O-CB 3.39Å; S57-A61 PolarHBondContact O-N 3Å |
| 58 | R | 90.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 174.5 | -65 | -163.1 | -65.4 | -85.6 | 7.9 | 111.8 | L50 H52 K53 N54 W55 A61 S62 W292 E293 H296 | L50-R58 WeakPolarHBondContact O-CD 3.46Å; L50-R58 VanDerWaalsContact O-CG 3.32Å; L50-R58 WeakPolarHBondContact O-CG 3.29Å; H52-R58 VanDerWaalsContact O-CD 3.26Å; H52-R58 WeakPolarHBondContact O-CD 3Å; H52-R58 VanDerWaalsContact O-CG 3.24Å; H52-R58 WeakPolarHBondContact O-CG 3.06Å; H52-R58 PolarHBondContact O-NH1 2.87Å; K53-R58 VanDerWaalsContact C-NH1 3.29Å; K53-R58 PolarHBondContact O-NH1 2.87Å; N54-R58 PolarHBondContact O-N 3.38Å; W55-R58 PolarHBondContact O-N 3.48Å; R58-A61 PolarHBondContact O-N 3.37Å; R58-S62 PolarHBondContact O-N 3.32Å; R58-W292 VanDerWaalsContact NH2-CH2 3.33Å; R58-E293 WeakPolarHBondContact CD-O 2.98Å; R58-H296 PolarHBondContact NE-ND1 3.17Å |
| 59 | V | 87.9 | Confident | 88.1 | Confident | 51 Ų | 51 | 30.5 Ų | 30.5 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.8 | -46 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | W55 V56 A61 S62 E63 | W55-V59 WeakPolarHBondContact O-CG2 3.36Å; W55-V59 PolarHBondContact O-N 2.66Å; V56-V59 PolarHBondContact O-N 3.27Å; V59-A61 VanDerWaalsContact C-N 3.32Å; V59-A61 PolarHBondContact O-N 3.27Å; V59-S62 PolarHBondContact O-N 3.42Å; V59-S62 VanDerWaalsContact O-N 3.11Å; V59-S62 PolarHBondContact O-OG 2.89Å; V59-E63 PolarHBondContact O-N 2.71Å |
| 60 | A | 87.9 | Confident | 88 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L12 V56 S57 E63 A64 | L12-A60 HydrophobicContact CB-CB 4.35Å; L12-A60 HydrophobicContact CD2-CB 3.99Å; V56-A60 VanDerWaalsContact O-CB 3.29Å; V56-A60 WeakPolarHBondContact O-CB 3.34Å; V56-A60 PolarHBondContact O-N 3.39Å; S57-A60 PolarHBondContact O-N 3.02Å; A60-E63 PolarHBondContact O-N 3.23Å; A60-A64 PolarHBondContact O-N 3.37Å |
| 61 | A | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L46 L49 L50 S57 R58 V59 E63 A64 I65 | L46-A61 HydrophobicContact CD2-CB 4.14Å; L49-A61 HydrophobicContact CB-CB 3.64Å; L50-A61 HydrophobicContact CD2-CB 3.84Å; L50-A61 HydrophobicContact CG-CB 4.22Å; S57-A61 WeakPolarHBondContact O-CB 3.39Å; S57-A61 PolarHBondContact O-N 3Å; R58-A61 PolarHBondContact O-N 3.37Å; V59-A61 VanDerWaalsContact C-N 3.32Å; V59-A61 PolarHBondContact O-N 3.27Å; A61-E63 VanDerWaalsContact C-N 3.34Å; A61-A64 WeakPolarHBondContact O-CB 3.34Å; A61-A64 PolarHBondContact O-N 2.71Å; A61-I65 WeakPolarHBondContact O-CG1 3.36Å; A61-I65 PolarHBondContact O-N 3.11Å; A61-I65 VanDerWaalsContact O-N 3.09Å |
| 62 | S | 90.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 172.2 | 73.4 | 0 | 0 | 0 | 0 | 112.2 | R58 V59 A64 I65 R66 E304 | R58-S62 PolarHBondContact O-N 3.32Å; V59-S62 PolarHBondContact O-N 3.42Å; V59-S62 VanDerWaalsContact O-N 3.11Å; V59-S62 PolarHBondContact O-OG 2.89Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-A64 PolarHBondContact O-N 3.27Å; S62-I65 WeakPolarHBondContact O-CB 3.46Å; S62-I65 PolarHBondContact O-N 3.29Å; S62-R66 PolarHBondContact O-N 3.15Å; S62-E304 WeakPolarHBondContact O-CB 3.36Å; S62-E304 WeakPolarHBondContact O-CG 3.15Å |
| 63 | E | 89.5 | Confident | 86.6 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -34.2 | 174.5 | -171 | 176.8 | 173 | 0 | 0 | 112.1 | T22 A25 V59 A60 A61 R66 H67 | T22-E63 WeakPolarHBondContact CB-OE1 3.39Å; T22-E63 VanDerWaalsContact CG2-OE1 3.23Å; T22-E63 WeakPolarHBondContact CG2-OE1 3.46Å; T22-E63 PolarHBondContact OG1-OE1 3.44Å; A25-E63 HydrophobicContact CB-CG 4.32Å; V59-E63 PolarHBondContact O-N 2.71Å; A60-E63 PolarHBondContact O-N 3.23Å; A61-E63 VanDerWaalsContact C-N 3.34Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.33Å; E63-H67 PolarHBondContact O-N 3.01Å; E63-H67 VanDerWaalsContact O-N 3.14Å; E63-H67 PolarHBondContact O-ND1 3.1Å |
| 64 | A | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | L12 A25 L28 L46 A60 A61 S62 R66 H67 I68 | L12-A64 HydrophobicContact CD1-CB 3.83Å; A25-A64 HydrophobicContact CB-CB 3.89Å; L28-A64 HydrophobicContact CD1-CB 4.11Å; L46-A64 HydrophobicContact CD1-CB 4.45Å; L46-A64 HydrophobicContact CD2-CB 3.92Å; A60-A64 PolarHBondContact O-N 3.37Å; A61-A64 WeakPolarHBondContact O-CB 3.34Å; A61-A64 PolarHBondContact O-N 2.71Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-A64 PolarHBondContact O-N 3.27Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 2.96Å; A64-H67 PolarHBondContact O-N 3.38Å; A64-H67 VanDerWaalsContact O-N 3.17Å; A64-I68 WeakPolarHBondContact O-CD1 3.25Å; A64-I68 VanDerWaalsContact O-CG1 3.32Å; A64-I68 WeakPolarHBondContact O-CG1 3.16Å; A64-I68 PolarHBondContact O-N 2.84Å |
| 65 | I | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 174.4 | -68.1 | 171.9 | 0 | 0 | 0 | 111.1 | F43 L46 L50 A61 S62 H67 I68 V69 M279 E304 L305 | F43-I65 HydrophobicContact CE1-CG1 4.34Å; L46-I65 HydrophobicContact CD1-CG1 4.01Å; L50-I65 HydrophobicContact CD1-CD1 3.72Å; L50-I65 HydrophobicContact CD2-CD1 4.34Å; L50-I65 HydrophobicContact CG-CD1 4.37Å; A61-I65 WeakPolarHBondContact O-CG1 3.36Å; A61-I65 PolarHBondContact O-N 3.11Å; A61-I65 VanDerWaalsContact O-N 3.09Å; S62-I65 WeakPolarHBondContact O-CB 3.46Å; S62-I65 PolarHBondContact O-N 3.29Å; I65-H67 VanDerWaalsContact C-N 3.31Å; I65-H67 PolarHBondContact O-N 3.04Å; I65-I68 PolarHBondContact O-N 3.46Å; I65-V69 HydrophobicContact CG2-CG2 4.29Å; I65-V69 WeakPolarHBondContact O-CG2 3.38Å; I65-V69 PolarHBondContact O-N 3.36Å; I65-M279 HydrophobicContact CD1-CE 3.84Å; I65-E304 HydrophobicContact CG2-CB 4.28Å; I65-L305 HydrophobicContact CG2-CB 4.09Å; I65-L305 HydrophobicContact CG2-CD1 4.11Å |
| 66 | R | 89.9 | Confident | 84.9 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.7 | -45 | 174.2 | -177 | -169.8 | -66.6 | 170.7 | 1 | 111.9 | S62 E63 A64 R70 E304 T1131 | S62-R66 PolarHBondContact O-N 3.15Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.33Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 2.96Å; R66-R70 WeakPolarHBondContact O-CB 3.42Å; R66-R70 VanDerWaalsContact O-CG 3.32Å; R66-R70 WeakPolarHBondContact O-CG 3.4Å; R66-R70 PolarHBondContact O-N 3.46Å; R66-R70 VanDerWaalsContact O-N 3.14Å; R66-E304 HydrophobicContact CB-CB 4.18Å; R66-E304 HydrophobicContact CB-CG 4.49Å; R66-E304 IonicContact CZ-OE1 2.91Å; R66-E304 IonicContact CZ-OE2 3.14Å; R66-E304 IonicContact NE-OE2 2.67Å; R66-E304 PolarHBondContact NE-OE2 3.14Å; R66-E304 IonicContact NH2-OE1 2.65Å; R66-E304 PolarHBondContact NH2-OE1 3.25Å; R66-E304 IonicContact NH2-OE2 2.71Å; R66-E304 PolarHBondContact NH2-OE2 3.44Å; R66-T1131 PolarHBondContact NH1-OG1 3.21Å |
| 67 | H | 88.3 | Confident | 84.1 | Confident | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.069 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.9 | -34.6 | -179.3 | -72.9 | 104.2 | 0 | 0 | 0 | 113 | A25 E26 E63 A64 I65 H71 | A25-H67 VanDerWaalsContact O-CB 3.3Å; A25-H67 WeakPolarHBondContact O-CB 3.47Å; E26-H67 IonicContact OE1-NE2 2.69Å; E63-H67 PolarHBondContact O-N 3.01Å; E63-H67 VanDerWaalsContact O-N 3.14Å; E63-H67 PolarHBondContact O-ND1 3.1Å; A64-H67 PolarHBondContact O-N 3.38Å; A64-H67 VanDerWaalsContact O-N 3.17Å; I65-H67 VanDerWaalsContact C-N 3.31Å; I65-H67 PolarHBondContact O-N 3.04Å; H67-H71 PolarHBondContact O-ND1 2.68Å |
| 68 | I | 87.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -53.6 | 171.9 | -70 | 160.8 | 0 | 0 | 0 | 110.3 | L28 A32 I39 V42 F43 L46 A64 I65 R70 H71 L72 | L28-I68 HydrophobicContact CB-CD1 4.45Å; A32-I68 HydrophobicContact CB-CB 4.43Å; A32-I68 HydrophobicContact CB-CG1 4.27Å; A32-I68 HydrophobicContact CB-CG2 3.88Å; I39-I68 HydrophobicContact CD1-CG2 3.87Å; I39-I68 HydrophobicContact CG1-CG2 4.49Å; V42-I68 HydrophobicContact CG1-CD1 3.57Å; F43-I68 HydrophobicContact CE1-CB 4.48Å; F43-I68 HydrophobicContact CE1-CD1 4.24Å; F43-I68 HydrophobicContact CE1-CG2 3.88Å; F43-I68 HydrophobicContact CZ-CG2 3.83Å; L46-I68 HydrophobicContact CD1-CD1 3.49Å; L46-I68 VanDerWaalsContact CD1-CD1 3.49Å; A64-I68 WeakPolarHBondContact O-CD1 3.25Å; A64-I68 VanDerWaalsContact O-CG1 3.32Å; A64-I68 WeakPolarHBondContact O-CG1 3.16Å; A64-I68 PolarHBondContact O-N 2.84Å; I65-I68 PolarHBondContact O-N 3.46Å; I68-R70 VanDerWaalsContact C-N 3.25Å; I68-R70 PolarHBondContact O-N 2.9Å; I68-H71 PolarHBondContact O-N 3.06Å; I68-L72 HydrophobicContact CG2-CD1 4.33Å; I68-L72 PolarHBondContact O-N 2.84Å |
| 69 | V | 87 | Confident | 81 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -32.5 | -177.6 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | I65 H71 L276 L305 E308 H311 | I65-V69 HydrophobicContact CG2-CG2 4.29Å; I65-V69 WeakPolarHBondContact O-CG2 3.38Å; I65-V69 PolarHBondContact O-N 3.36Å; V69-H71 VanDerWaalsContact C-N 3.31Å; V69-H71 PolarHBondContact O-N 3.42Å; V69-L276 HydrophobicContact CG2-CD1 4.4Å; V69-L305 HydrophobicContact CG2-CD1 3.89Å; V69-E308 HydrophobicContact CG1-CB 3.82Å; V69-H311 PolarHBondContact O-CD2 2.91Å; V69-H311 PolarHBondContact O-NE2 3.24Å; V69-H311 VanDerWaalsContact O-NE2 3.15Å |
| 70 | R | 86.3 | Confident | 79 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.7 | -19.7 | 176.5 | -79.4 | 177.1 | 174 | 177 | 0.3 | 115.6 | R66 I68 E308 S1130 | R66-R70 WeakPolarHBondContact O-CB 3.42Å; R66-R70 VanDerWaalsContact O-CG 3.32Å; R66-R70 WeakPolarHBondContact O-CG 3.4Å; R66-R70 PolarHBondContact O-N 3.46Å; R66-R70 VanDerWaalsContact O-N 3.14Å; I68-R70 VanDerWaalsContact C-N 3.25Å; I68-R70 PolarHBondContact O-N 2.9Å; R70-E308 IonicContact NE-OE2 3.7Å; R70-S1130 PolarHBondContact NH2-OG 3.23Å |
| 71 | H | 80.8 | Confident | 76.3 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 29% | 0.292 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -108.7 | -1.9 | -174.7 | -71.7 | 106 | 0 | 0 | 0 | 113.8 | G29 K33 H67 I68 V69 | G29-H71 WeakPolarHBondContact O-CB 3.22Å; K33-H71 HydrophobicContact CB-CB 4.18Å; H67-H71 PolarHBondContact O-ND1 2.68Å; I68-H71 PolarHBondContact O-N 3.06Å; V69-H71 VanDerWaalsContact C-N 3.31Å; V69-H71 PolarHBondContact O-N 3.42Å |
| 72 | L | 80 | Confident | 73.6 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -72.3 | 148.6 | 176.4 | -75.1 | 167.5 | 0 | 0 | 0 | 112.1 | I39 I68 L276 | I39-L72 HydrophobicContact CD1-CD1 3.43Å; I39-L72 VanDerWaalsContact CD1-CD1 3.43Å; I39-L72 HydrophobicContact CD1-CD2 3.54Å; I39-L72 HydrophobicContact CD1-CG 4Å; I68-L72 HydrophobicContact CG2-CD1 4.33Å; I68-L72 PolarHBondContact O-N 2.84Å; L72-L276 HydrophobicContact CD1-CD2 4.1Å |
| 73 | P | 74.2 | Confident | 70.7 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 145.9 | 172 | 29 | -34.2 | 0 | 0 | 0 | 111 | W75 H311 | P73-W75 PolarHBondContact O-N 2.67Å; P73-H311 PolarHBondContact O-CE1 3.46Å |
| 74 | D | 73.8 | Confident | 68 | Low | 95 Ų | 95 | 75.5 Ų | 75.5 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 125.9 | 175.8 | -68 | -52.5 | 0 | 0 | 0 | 110.1 | R310 | D74-R310 WeakPolarHBondContact OD1-CB 3.44Å; D74-R310 WeakPolarHBondContact OD1-CD 3.42Å; D74-R310 IonicContact OD2-NH1 3.66Å |
| 75 | W | 74.7 | Confident | 65.1 | Low | 49 Ų | 49 | 83 Ų | 83 | 19% | 0.186 | 43% | 0.427 | C | S | . | . | trans | -97.9 | 102.1 | 179.1 | -177.8 | 84.4 | 0 | 0 | 0 | 109.8 | P73 P77 H273 W274 P275 Q314 K317 I319 | P73-W75 PolarHBondContact O-N 2.67Å; W75-P77 HydrophobicContact CH2-CB 4.18Å; W75-P77 HydrophobicContact CH2-CG 4.34Å; W75-P77 HydrophobicContact CZ2-CB 4.49Å; W75-P77 HydrophobicContact CZ3-CB 4.42Å; W75-P77 HydrophobicContact CZ3-CG 4.11Å; W75-H273 WeakPolarHBondContact CZ2-O 3.38Å; W75-W274 AromaticContact CE3-CD1 3.95Å; W75-W274 HydrophobicContact CH2-CB 4.44Å; W75-W274 HydrophobicContact CZ3-CB 4.2Å; W75-P275 HydrophobicContact CD2-CG 4.4Å; W75-P275 HydrophobicContact CG-CG 4.04Å; W75-Q314 HydrophobicContact CE3-CB 3.8Å; W75-Q314 HydrophobicContact CE3-CG 4.48Å; W75-Q314 HydrophobicContact CZ3-CB 4.08Å; W75-Q314 WeakPolarHBondContact O-CG 3.24Å; W75-K317 HydrophobicContact CZ3-CB 4.32Å; W75-I319 HydrophobicContact CH2-CG1 4.45Å; W75-I319 HydrophobicContact CZ2-CD1 4.09Å; W75-I319 HydrophobicContact CZ2-CG1 3.9Å | ||
| 76 | E | 68.7 | Low | 62.4 | Low | 149 Ų | 149 | 89.2 Ų | 89.2 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | trans | -107.8 | 115 | 173.9 | -67.7 | -163 | 154.4 | 0 | 0 | 111.1 | T78 | E76-T78 PolarHBondContact O-N 3.5Š| ||
| 77 | P | 67.8 | Low | 59.5 | Low | 19 Ų | 19 | 96.1 Ų | 96.1 | 12% | 0.123 | 49% | 0.494 | C | S | . | . | trans | -69.9 | 117.3 | 175.9 | 26.7 | -34.5 | 0 | 0 | 0 | 111.2 | W75 I319 M326 | W75-P77 HydrophobicContact CH2-CB 4.18Å; W75-P77 HydrophobicContact CH2-CG 4.34Å; W75-P77 HydrophobicContact CZ2-CB 4.49Å; W75-P77 HydrophobicContact CZ3-CB 4.42Å; W75-P77 HydrophobicContact CZ3-CG 4.11Å; P77-I319 HydrophobicContact CB-CG1 3.97Å; P77-M326 HydrophobicContact CB-CE 3.52Å; P77-M326 HydrophobicContact CG-CE 3.12Å | ||
| 78 | T | 59.6 | Low | 56.8 | Low | 97 Ų | 97 | 103.5 Ų | 103.5 | 60% | 0.595 | 53% | 0.526 | S | S | * | . | trans | -78.6 | 128.9 | -173.7 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | E76 N80 | E76-T78 PolarHBondContact O-N 3.5Å; T78-N80 PolarHBondContact O-N 2.93Å | ||
| 79 | V | 52.6 | Low | 54 | Low | 87 Ų | 87 | 110.9 Ų | 110.9 | 53% | 0.527 | 57% | 0.566 | S | S | . | * | trans | -84 | 74.3 | -177.7 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | C81 | V79-C81 VanDerWaalsContact C-N 3.3Å; V79-C81 VanDerWaalsContact CG1-SG 3.55Å; V79-C81 PolarHBondContact O-N 2.79Å; V79-C81 VanDerWaalsContact O-N 3.11Å | ||
| 80 | N | 46.6 | Very low | 51.4 | Low | 155 Ų | 155 | 116.7 Ų | 116.7 | 83% | 0.829 | 60% | 0.601 | S | S | * | * | trans | -83.8 | 71.5 | 170.8 | -88.8 | -11.9 | 0 | 0 | 0 | 111.5 | T78 Q82 | T78-N80 PolarHBondContact O-N 2.93Å; N80-Q82 PolarHBondContact O-N 3.46Å | ||
| 81 | C | 31 | Very low | 48.8 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | trans | -73 | 82.6 | 174.4 | -78 | 0 | 0 | 0 | 0 | 112.4 | V79 | V79-C81 VanDerWaalsContact C-N 3.3Å; V79-C81 VanDerWaalsContact CG1-SG 3.55Å; V79-C81 PolarHBondContact O-N 2.79Å; V79-C81 VanDerWaalsContact O-N 3.11Å | ||
| 82 | Q | 34.6 | Very low | 47 | Very low | 176 Ų | 176 | 116.4 Ų | 116.4 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | trans | -130.9 | 88.2 | 161 | -73.4 | -166.2 | -6.8 | 0 | 0 | 111.8 | N80 | N80-Q82 PolarHBondContact O-N 3.46Š| ||
| 83 | S | 29 | Very low | 45.8 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | trans | 39.2 | 84.8 | 151.2 | 62.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 84 | Y | 34 | Very low | 45.3 | Very low | 227 Ų | 227 | 118 Ų | 118 | 89% | 0.89 | 63% | 0.626 | S | S | * | * | trans | -134.9 | 97.5 | 139.1 | -101.2 | -86.3 | 0 | 0 | 0 | 108.8 | D86 | Y84-D86 PolarHBondContact O-N 3.4Š| ||
| 85 | I | 28.5 | Very low | 45.3 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 81% | 0.805 | 61% | 0.612 | S | S | * | * | trans | -82.9 | 99.7 | 167.7 | -61.1 | 171.6 | 0 | 0 | 0 | 106.1 | Q87 | I85-Q87 HydrophobicContact CG2-CG 4.48Š| ||
| 86 | D | 35 | Very low | 45.5 | Very low | 131 Ų | 131 | 114.6 Ų | 114.6 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | trans | -126.4 | 103 | 162.5 | -128.8 | 3.7 | 0 | 0 | 0 | 106.7 | Y84 K88 | Y84-D86 PolarHBondContact O-N 3.4Å; D86-K88 PolarHBondContact O-N 3.34Å | ||
| 87 | Q | 28.7 | Very low | 46.1 | Very low | 182 Ų | 182 | 110.2 Ų | 110.2 | 85% | 0.85 | 60% | 0.595 | S | S | * | * | trans | -69.4 | 95.6 | 179.3 | -72.5 | 176.7 | -37.6 | 0 | 0 | 109 | I85 | I85-Q87 HydrophobicContact CG2-CG 4.48Š| ||
| 88 | K | 32.3 | Very low | 46.9 | Very low | 169 Ų | 169 | 109.3 Ų | 109.3 | 74% | 0.735 | 59% | 0.589 | S | S | * | * | trans | -111.7 | 117.7 | 161.4 | -76 | -176.4 | 178.7 | 172.9 | 0 | 108.6 | D86 V90 | D86-K88 PolarHBondContact O-N 3.34Å; K88-V90 PolarHBondContact O-N 3.06Å | ||
| 89 | D | 28.6 | Very low | 47.9 | Very low | 156 Ų | 156 | 109.3 Ų | 109.3 | 83% | 0.834 | 59% | 0.593 | S | S | * | * | trans | -61.5 | 93 | 175.3 | -61.8 | -56 | 0 | 0 | 0 | 110.4 | S91 | D89-S91 PolarHBondContact O-N 2.94Š| ||
| 90 | V | 33.1 | Very low | 49.2 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 74% | 0.739 | 59% | 0.592 | S | S | * | * | trans | -76.7 | 82.4 | 166.7 | -168.3 | 0 | 0 | 0 | 0 | 107.3 | K88 T92 | K88-V90 PolarHBondContact O-N 3.06Å; V90-T92 VanDerWaalsContact C-N 3.26Å; V90-T92 HydrophobicContact CG1-CG2 4.02Å; V90-T92 PolarHBondContact O-N 3.35Å | ||
| 91 | S | 31.6 | Very low | 50.8 | Low | 86 Ų | 86 | 100.9 Ų | 100.9 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | trans | -68.1 | 79.2 | 175.6 | 45.2 | 0 | 0 | 0 | 0 | 111 | D89 N93 | D89-S91 PolarHBondContact O-N 2.94Å; S91-N93 PolarHBondContact O-N 2.82Å | ||
| 92 | T | 43.5 | Very low | 53 | Low | 70 Ų | 70 | 103.2 Ų | 103.2 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | trans | -73.5 | 45.2 | 170 | 47.8 | 0 | 0 | 0 | 0 | 112 | V90 G94 | V90-T92 VanDerWaalsContact C-N 3.26Å; V90-T92 HydrophobicContact CG1-CG2 4.02Å; V90-T92 PolarHBondContact O-N 3.35Å; T92-G94 VanDerWaalsContact C-N 3.3Å; T92-G94 PolarHBondContact O-N 3.32Å | ||
| 93 | N | 54.4 | Low | 55.2 | Low | 128 Ų | 128 | 95.1 Ų | 95.1 | 68% | 0.684 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 77.2 | -175.5 | -68.9 | -3.1 | 0 | 0 | 0 | 110.8 | S91 Q164 | S91-N93 PolarHBondContact O-N 2.82Å; N93-Q164 PolarHBondContact O-NE2 2.92Å |
| 94 | G | 62.8 | Low | 57.3 | Low | 15 Ų | 15 | 91.9 Ų | 91.9 | 16% | 0.155 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -166.8 | -0.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | T92 N167 | T92-G94 VanDerWaalsContact C-N 3.3Å; T92-G94 PolarHBondContact O-N 3.32Å; G94-N167 PolarHBondContact O-ND2 3.42Å |
| 95 | F | 75.3 | Confident | 59.2 | Low | 48 Ų | 48 | 84.7 Ų | 84.7 | 21% | 0.211 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 135.4 | 170.9 | -68.1 | -78 | 0 | 0 | 0 | 110.9 | R163 Y333 D336 | F95-R163 VanDerWaalsContact CE1-CZ 3.44Å; F95-R163 VanDerWaalsContact CE1-NH1 3.31Å; F95-Y333 AromaticContact CE1-CD2 3.72Å; F95-Y333 HydrophobicContact CE1-CD2 3.72Å; F95-Y333 HydrophobicContact CE1-CE2 4.48Å; F95-Y333 HydrophobicContact CE1-CG 4.43Å; F95-Y333 HydrophobicContact CZ-CD2 4.24Å; F95-D336 HydrophobicContact CB-CB 4.46Å; F95-D336 HydrophobicContact CD1-CB 3.97Å |
| 96 | L | 78.4 | Confident | 61.5 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 131.8 | 173 | -59.4 | 172.1 | 0 | 0 | 0 | 110.2 | L170 L172 D336 V339 | L96-L170 HydrophobicContact CD1-CD1 3.81Å; L96-L172 HydrophobicContact CD1-CD1 3.94Å; L96-L172 HydrophobicContact CD2-CB 4.14Å; L96-L172 HydrophobicContact CD2-CD1 4.01Å; L96-D336 PolarHBondContact N-OD1 3.19Å; L96-D336 WeakPolarHBondContact O-CA 3.45Å; L96-D336 PolarHBondContact O-N 2.75Å; L96-V339 HydrophobicContact CB-CB 4.2Å; L96-V339 HydrophobicContact CB-CG1 3.86Å; L96-V339 HydrophobicContact CB-CG2 4.43Å; L96-V339 HydrophobicContact CD1-CG1 3.81Å; L96-V339 HydrophobicContact CG-CG1 4.47Å |
| 97 | S | 81.7 | Confident | 63.4 | Low | 56 Ų | 56 | 71.2 Ų | 71.2 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 145.7 | 176.2 | 65.6 | 0 | 0 | 0 | 0 | 112 | S99 G100 L101 | S97-S99 VanDerWaalsContact C-N 3.29Å; S97-S99 PolarHBondContact O-N 3.23Å; S97-G100 PolarHBondContact O-N 3.35Å; S97-G100 PolarHBondContact OG-N 3.44Å; S97-L101 PolarHBondContact O-N 2.88Å |
| 98 | L | 83.1 | Confident | 65.4 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -72.5 | -25.9 | 179.4 | -175.1 | 64.2 | 0 | 0 | 0 | 112.1 | E335 V338 V339 L342 L384 V385 H388 | L98-E335 HydrophobicContact CB-CB 4.2Å; L98-E335 HydrophobicContact CB-CG 3.82Å; L98-E335 PolarHBondContact N-OE2 3.37Å; L98-V338 HydrophobicContact CD1-CG1 4.24Å; L98-V339 HydrophobicContact CB-CG2 4.35Å; L98-V339 HydrophobicContact CD1-CG2 4.14Å; L98-L342 HydrophobicContact CD1-CD1 3.74Å; L98-L384 HydrophobicContact CD2-CB 3.6Å; L98-L384 HydrophobicContact CD2-CD1 4.42Å; L98-L384 HydrophobicContact CG-CB 3.96Å; L98-V385 HydrophobicContact CD1-CG2 4.35Å; L98-V385 HydrophobicContact CD2-CG2 3.65Å; L98-H388 PolarHBondContact O-CE1 2.66Å |
| 99 | S | 82.3 | Confident | 67.1 | Low | 97 Ų | 97 | 60.2 Ų | 60.2 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -77.9 | -25.1 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | S97 | S97-S99 VanDerWaalsContact C-N 3.29Å; S97-S99 PolarHBondContact O-N 3.23Å |
| 100 | G | 78 | Confident | 68.8 | Low | 50 Ų | 50 | 53.3 Ų | 53.3 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -89.6 | -4.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S97 R102 | S97-G100 PolarHBondContact O-N 3.35Å; S97-G100 PolarHBondContact OG-N 3.44Å; G100-R102 PolarHBondContact O-N 3.32Å |
| 101 | L | 80.7 | Confident | 70.4 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | trans | -67.8 | 98.5 | -173.3 | 178.4 | 56.2 | 0 | 0 | 0 | 112.8 | S97 I103 V106 V339 L342 H388 | S97-L101 PolarHBondContact O-N 2.88Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 HydrophobicContact CD2-CD1 4.42Å; L101-I103 HydrophobicContact CG-CB 4.22Å; L101-I103 PolarHBondContact O-N 3.45Å; L101-V106 HydrophobicContact CD1-CG2 4.19Å; L101-V339 HydrophobicContact CB-CG2 4.44Å; L101-V339 HydrophobicContact CD1-CG1 3.83Å; L101-V339 HydrophobicContact CD2-CB 4.45Å; L101-V339 HydrophobicContact CD2-CG1 4.1Å; L101-V339 HydrophobicContact CD2-CG2 4.16Å; L101-V339 HydrophobicContact CG-CG1 4.42Å; L101-L342 HydrophobicContact CD2-CB 4.43Å; L101-L342 HydrophobicContact CD2-CD1 4.18Å; L101-H388 PolarHBondContact O-NE2 3.31Å | ||
| 102 | R | 78.1 | Confident | 72.3 | Confident | 151 Ų | 151 | 48.7 Ų | 48.7 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | trans | -80.2 | 74.6 | 168 | -66.4 | -61.3 | -61.1 | -86.8 | -2 | 111 | G100 D104 Y105 V106 | G100-R102 PolarHBondContact O-N 3.32Å; R102-D104 VanDerWaalsContact CA-OD1 3.29Å; R102-D104 WeakPolarHBondContact CA-OD1 3.31Å; R102-D104 WeakPolarHBondContact CB-OD1 3.32Å; R102-D104 IonicContact CZ-OD1 3.41Å; R102-D104 IonicContact CZ-OD2 2.75Å; R102-D104 IonicContact NE-OD1 3.75Å; R102-D104 PolarHBondContact NE-OD1 2.91Å; R102-D104 IonicContact NE-OD2 2.66Å; R102-D104 PolarHBondContact NE-OD2 3.08Å; R102-D104 IonicContact NH2-OD1 3.16Å; R102-D104 IonicContact NH2-OD2 3.8Å; R102-D104 PolarHBondContact NH2-OD2 3.24Å; R102-D104 PolarHBondContact O-N 3.13Å; R102-Y105 WeakPolarHBondContact O-CA 3.42Å; R102-Y105 WeakPolarHBondContact O-CB 3.25Å; R102-Y105 PolarHBondContact O-N 3.11Å; R102-V106 PolarHBondContact O-N 2.58Å; R102-V106 VanDerWaalsContact O-N 3.07Å | ||
| 103 | I | 79.3 | Confident | 73.8 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -22.4 | -178.8 | -156.4 | 162.7 | 0 | 0 | 0 | 112.8 | L101 V106 L107 A346 F391 L392 | L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 HydrophobicContact CD2-CD1 4.42Å; L101-I103 HydrophobicContact CG-CB 4.22Å; L101-I103 PolarHBondContact O-N 3.45Å; I103-V106 PolarHBondContact O-N 2.91Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CG 3.25Å; I103-L107 PolarHBondContact O-N 3.11Å; I103-A346 HydrophobicContact CD1-CB 4.47Å; I103-F391 HydrophobicContact CG2-CD1 3.36Å; I103-F391 HydrophobicContact CG2-CE1 3.62Å; I103-F391 HydrophobicContact CG2-CG 4.26Å; I103-L392 HydrophobicContact CD1-CD1 3.95Å; I103-L392 HydrophobicContact CD1-CD2 3.63Å; I103-L392 HydrophobicContact CD1-CG 3.85Å; I103-L392 HydrophobicContact CG1-CD2 4.02Å |
| 104 | D | 73.3 | Confident | 74.6 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -41 | 168.3 | 58.4 | -45.7 | 0 | 0 | 0 | 112.5 | R102 A108 F391 L403 | R102-D104 VanDerWaalsContact CA-OD1 3.29Å; R102-D104 WeakPolarHBondContact CA-OD1 3.31Å; R102-D104 WeakPolarHBondContact CB-OD1 3.32Å; R102-D104 IonicContact CZ-OD1 3.41Å; R102-D104 IonicContact CZ-OD2 2.75Å; R102-D104 IonicContact NE-OD1 3.75Å; R102-D104 PolarHBondContact NE-OD1 2.91Å; R102-D104 IonicContact NE-OD2 2.66Å; R102-D104 PolarHBondContact NE-OD2 3.08Å; R102-D104 IonicContact NH2-OD1 3.16Å; R102-D104 IonicContact NH2-OD2 3.8Å; R102-D104 PolarHBondContact NH2-OD2 3.24Å; R102-D104 PolarHBondContact O-N 3.13Å; D104-A108 PolarHBondContact O-N 3.14Å; D104-F391 HydrophobicContact CB-CE1 4.41Å; D104-F391 HydrophobicContact CB-CZ 4.1Å; D104-L403 HydrophobicContact CB-CD2 4.24Å |
| 105 | Y | 74.5 | Confident | 74.6 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.3 | -41.9 | 174.1 | -174.1 | -95.4 | 0 | 0 | 0 | 111.6 | R102 L107 A108 Q109 G171 L172 | R102-Y105 WeakPolarHBondContact O-CA 3.42Å; R102-Y105 WeakPolarHBondContact O-CB 3.25Å; R102-Y105 PolarHBondContact O-N 3.11Å; Y105-L107 VanDerWaalsContact C-N 3.28Å; Y105-L107 PolarHBondContact O-N 2.96Å; Y105-A108 PolarHBondContact O-N 3.06Å; Y105-A108 VanDerWaalsContact O-N 3.12Å; Y105-Q109 HydrophobicContact CD1-CG 4.43Å; Y105-Q109 HydrophobicContact CD2-CG 4.28Å; Y105-Q109 HydrophobicContact CE1-CB 4.29Å; Y105-Q109 HydrophobicContact CE1-CG 4.04Å; Y105-Q109 HydrophobicContact CE2-CG 3.87Å; Y105-Q109 PolarHBondContact O-N 2.84Å; Y105-G171 WeakPolarHBondContact CE1-O 3.33Å; Y105-L172 HydrophobicContact CD1-CD2 4.36Å |
| 106 | V | 76.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 175 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | L101 R102 I103 G110 L172 C343 L347 | L101-V106 HydrophobicContact CD1-CG2 4.19Å; R102-V106 PolarHBondContact O-N 2.58Å; R102-V106 VanDerWaalsContact O-N 3.07Å; I103-V106 PolarHBondContact O-N 2.91Å; V106-G110 WeakPolarHBondContact O-CA 3.44Å; V106-G110 PolarHBondContact O-N 2.84Å; V106-L172 HydrophobicContact CG2-CD1 4.24Å; V106-L172 HydrophobicContact CG2-CD2 4.03Å; V106-L172 HydrophobicContact CG2-CG 4.46Å; V106-C343 HydrophobicContact CG1-CB 4.1Å; V106-L347 HydrophobicContact CG1-CD1 3.88Å; V106-L347 HydrophobicContact CG1-CG 4.35Å |
| 107 | L | 74.9 | Confident | 72.3 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73 | -25.4 | 177.5 | -78.6 | 169.4 | 0 | 0 | 0 | 114.3 | I103 Y105 R112 A346 L347 L392 L395 I423 | I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CG 3.25Å; I103-L107 PolarHBondContact O-N 3.11Å; Y105-L107 VanDerWaalsContact C-N 3.28Å; Y105-L107 PolarHBondContact O-N 2.96Å; L107-R112 PolarHBondContact O-NH2 2.9Å; L107-A346 HydrophobicContact CD2-CB 4.01Å; L107-A346 HydrophobicContact CG-CB 4.5Å; L107-L347 HydrophobicContact CD2-CD2 4.3Å; L107-L392 HydrophobicContact CD1-CD2 3.97Å; L107-L395 HydrophobicContact CD1-CD1 3.33Å; L107-I423 HydrophobicContact CD1-CG2 4.43Å; L107-I423 HydrophobicContact CD2-CD1 3.9Å; L107-I423 HydrophobicContact CD2-CG1 4.16Å; L107-I423 HydrophobicContact CD2-CG2 4.18Å |
| 108 | A | 70.3 | Confident | 70.6 | Confident | 22 Ų | 22 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84.4 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D104 Y105 L403 | D104-A108 PolarHBondContact O-N 3.14Å; Y105-A108 PolarHBondContact O-N 3.06Å; Y105-A108 VanDerWaalsContact O-N 3.12Å; A108-L403 WeakPolarHBondContact CB-O 3.34Å |
| 109 | Q | 68.1 | Low | 68.7 | Low | 98 Ų | 98 | 57.7 Ų | 57.7 | 46% | 0.458 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -109.7 | -17.2 | -173.4 | -62.2 | -67.8 | -7.6 | 0 | 0 | 114.3 | Y105 | Y105-Q109 HydrophobicContact CD1-CG 4.43Å; Y105-Q109 HydrophobicContact CD2-CG 4.28Å; Y105-Q109 HydrophobicContact CE1-CB 4.29Å; Y105-Q109 HydrophobicContact CE1-CG 4.04Å; Y105-Q109 HydrophobicContact CE2-CG 3.87Å; Y105-Q109 PolarHBondContact O-N 2.84Å |
| 110 | G | 65.3 | Low | 67 | Low | 11 Ų | 11 | 60.9 Ų | 60.9 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -76.2 | 139.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V106 R112 | V106-G110 WeakPolarHBondContact O-CA 3.44Å; V106-G110 PolarHBondContact O-N 2.84Å; G110-R112 PolarHBondContact O-N 3.42Å |
| 111 | A | 65.7 | Low | 65.3 | Low | 62 Ų | 62 | 63.5 Ų | 63.5 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 124.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 112 | R | 71.9 | Confident | 63.3 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 18% | 0.181 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -73 | 126.5 | 176.4 | -63 | -67.5 | 173.3 | 153 | -5 | 110.2 | L107 G110 Y114 Q349 | L107-R112 PolarHBondContact O-NH2 2.9Å; G110-R112 PolarHBondContact O-N 3.42Å; R112-Y114 HydrophobicContact CB-CD2 4.34Å; R112-Y114 HydrophobicContact CB-CE2 3.62Å; R112-Y114 WeakPolarHBondContact O-CD2 3.29Å; R112-Q349 HydrophobicContact CB-CG 3.96Å; R112-Q349 HydrophobicContact CG-CG 4.48Å |
| 113 | L | 75.1 | Confident | 61.1 | Low | 6 Ų | 6 | 72.4 Ų | 72.4 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -95.5 | 102.3 | -172.4 | -53.5 | 169.8 | 0 | 0 | 0 | 110.6 | W288 R295 L347 Q349 | L113-W288 HydrophobicContact CD1-CE3 4.29Å; L113-R295 PolarHBondContact O-NH2 2.91Å; L113-L347 PolarHBondContact N-O 3.31Å; L113-Q349 PolarHBondContact O-N 3.01Å |
| 114 | Y | 71 | Confident | 58.6 | Low | 111 Ų | 111 | 78.6 Ų | 78.6 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | trans | -93.2 | -170.1 | -179 | -66 | -74.8 | 0 | 0 | 0 | 113.1 | R112 R295 Q349 N419 | R112-Y114 HydrophobicContact CB-CD2 4.34Å; R112-Y114 HydrophobicContact CB-CE2 3.62Å; R112-Y114 WeakPolarHBondContact O-CD2 3.29Å; Y114-R295 PolarHBondContact O-NH1 3.16Å; Y114-R295 PolarHBondContact O-NH2 2.9Å; Y114-Q349 HydrophobicContact CD1-CB 3.74Å; Y114-Q349 HydrophobicContact CD1-CG 4.39Å; Y114-Q349 HydrophobicContact CE1-CB 3.64Å; Y114-Q349 HydrophobicContact CE1-CG 3.92Å; Y114-N419 PolarHBondContact OH-ND2 2.76Å | ||
| 115 | S | 64 | Low | 56.5 | Low | 68 Ų | 68 | 84.4 Ų | 84.4 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | trans | -106.5 | 92.1 | 170.1 | -166.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 116 | M | 55.3 | Low | 54.4 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 36% | 0.36 | 44% | 0.436 | S | S | . | . | trans | -108.7 | 117.3 | 171.3 | -82.5 | 174.1 | 69.5 | 0 | 0 | 109.9 | L121 | M116-L121 HydrophobicContact CE-CD1 3.66Å; M116-L121 HydrophobicContact CE-CD2 4.14Å; M116-L121 HydrophobicContact CE-CG 3.75Å | ||
| 117 | D | 49.9 | Very low | 52.1 | Low | 48 Ų | 48 | 98.1 Ų | 98.1 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | trans | -78.2 | 121.2 | 163.6 | -161 | 9.3 | 0 | 0 | 0 | 107.9 | K53 R119 E120 | K53-D117 IonicContact NZ-OD1 2.75Å; K53-D117 PolarHBondContact NZ-OD1 2.84Å; K53-D117 IonicContact NZ-OD2 3.75Å; K53-D117 PolarHBondContact NZ-OD2 2.92Å; K53-D117 VanDerWaalsContact NZ-OD2 3.08Å; D117-R119 PolarHBondContact O-N 3.03Å; D117-R119 IonicContact OD1-NE 3.61Å; D117-R119 IonicContact OD2-CZ 2.93Å; D117-R119 VanDerWaalsContact OD2-CZ 3.29Å; D117-R119 IonicContact OD2-NE 3.62Å; D117-R119 PolarHBondContact OD2-NE 2.98Å; D117-R119 IonicContact OD2-NH2 2.74Å; D117-R119 PolarHBondContact OD2-NH2 3.45Å; D117-E120 PolarHBondContact O-N 2.8Å | ||
| 118 | V | 46.3 | Very low | 50 | Low | 43 Ų | 43 | 100.3 Ų | 100.3 | 26% | 0.261 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -58.6 | -14.1 | -168 | 171.1 | 0 | 0 | 0 | 0 | 113.8 | E120 L121 R291 | V118-E120 PolarHBondContact O-N 3Å; V118-E120 VanDerWaalsContact O-N 3.11Å; V118-L121 PolarHBondContact O-N 3.15Å; V118-R291 HydrophobicContact CG2-CG 4.16Å; V118-R291 VanDerWaalsContact CG2-NE 3.34Å |
| 119 | R | 43.4 | Very low | 48 | Very low | 181 Ų | 181 | 107.3 Ų | 107.3 | 68% | 0.683 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -62.9 | -12.3 | 177.8 | -68.9 | -176.3 | -80.7 | -170.7 | 2.2 | 114.9 | D117 | D117-R119 PolarHBondContact O-N 3.03Å; D117-R119 IonicContact OD1-NE 3.61Å; D117-R119 IonicContact OD2-CZ 2.93Å; D117-R119 VanDerWaalsContact OD2-CZ 3.29Å; D117-R119 IonicContact OD2-NE 3.62Å; D117-R119 PolarHBondContact OD2-NE 2.98Å; D117-R119 IonicContact OD2-NH2 2.74Å; D117-R119 PolarHBondContact OD2-NH2 3.45Å |
| 120 | E | 45 | Very low | 46.2 | Very low | 164 Ų | 164 | 112.8 Ų | 112.8 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -88.9 | -19.6 | 172 | -68.8 | 179.7 | 163.2 | 0 | 0 | 113.5 | D117 V118 | D117-E120 PolarHBondContact O-N 2.8Å; V118-E120 PolarHBondContact O-N 3Å; V118-E120 VanDerWaalsContact O-N 3.11Å |
| 121 | L | 43.5 | Very low | 44.7 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 55% | 0.55 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | -14.5 | 178.2 | -80.6 | 168 | 0 | 0 | 0 | 114.4 | M116 V118 R123 | M116-L121 HydrophobicContact CE-CD1 3.66Å; M116-L121 HydrophobicContact CE-CD2 4.14Å; M116-L121 HydrophobicContact CE-CG 3.75Å; V118-L121 PolarHBondContact O-N 3.15Å; L121-R123 VanDerWaalsContact C-N 3.25Å; L121-R123 PolarHBondContact O-N 3.26Å |
| 122 | D | 38.8 | Very low | 42.9 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 72% | 0.722 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 7.9 | -175.1 | -81.1 | -37.9 | 0 | 0 | 0 | 114.4 | N124 | D122-N124 PolarHBondContact O-N 3.17Š|
| 123 | R | 31.7 | Very low | 40.7 | Very low | 219 Ų | 219 | 130 Ų | 130 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -91.4 | 88.4 | 169.3 | -78.6 | -172.3 | 174.3 | -179.2 | 0.9 | 112 | L121 | L121-R123 VanDerWaalsContact C-N 3.25Å; L121-R123 PolarHBondContact O-N 3.26Å |
| 124 | N | 27 | Very low | 38.6 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 82.8 | 126.5 | 159.7 | -49.5 | -40.4 | 0 | 0 | 0 | 118.6 | D122 | D122-N124 PolarHBondContact O-N 3.17Š|
| 125 | N | 28.5 | Very low | 36.5 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 81.3 | -1.4 | 144.9 | -65.3 | -12.3 | 0 | 0 | 0 | 123.7 | ||
| 126 | C | 30.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 72% | 0.716 | 69% | 0.688 | S | S | * | * | trans | -100.9 | 28.1 | 176.1 | -82.6 | 0 | 0 | 0 | 0 | 116.7 | G128 | C126-G128 PolarHBondContact O-N 3.01Š| ||
| 127 | R | 28.6 | Very low | 33.5 | Very low | 257 Ų | 257 | 148.7 Ų | 148.7 | 97% | 0.97 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 21.6 | 173.7 | -144.3 | -179.6 | -165.5 | -177.3 | 5.3 | 114.5 | ||
| 128 | G | 29.9 | Very low | 32.4 | Very low | 52 Ų | 52 | 153.1 Ų | 153.1 | 54% | 0.536 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.8 | 3.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | C126 | C126-G128 PolarHBondContact O-N 3.01Š|
| 129 | Y | 29.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 158.9 Ų | 158.9 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -106.9 | -27.3 | -178.1 | -90.8 | -90.2 | 0 | 0 | 0 | 115.2 | E131 R132 | Y129-E131 VanDerWaalsContact C-N 3.33Å; Y129-E131 PolarHBondContact O-N 3.06Å; Y129-R132 PolarHBondContact O-N 2.8Å |
| 130 | F | 29.9 | Very low | 30.6 | Very low | 213 Ų | 213 | 154.5 Ų | 154.5 | 93% | 0.934 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -11 | -179.2 | -116.4 | -88 | 0 | 0 | 0 | 114.9 | ||
| 131 | E | 33.2 | Very low | 29.9 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -8.1 | 175.3 | -68 | -164.5 | 132.9 | 0 | 0 | 113.8 | Y129 C133 K134 | Y129-E131 VanDerWaalsContact C-N 3.33Å; Y129-E131 PolarHBondContact O-N 3.06Å; E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 3.49Å; E131-K134 PolarHBondContact O-N 3.42Å |
| 132 | R | 27.8 | Very low | 29.2 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -5.1 | -166.8 | -150.4 | 169.3 | -175.2 | 165.9 | 1.2 | 115.6 | Y129 | Y129-R132 PolarHBondContact O-N 2.8Š|
| 133 | C | 26.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 155.5 Ų | 155.5 | 91% | 0.905 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 12.6 | 172 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | E131 | E131-C133 VanDerWaalsContact C-N 3.33Å; E131-C133 PolarHBondContact O-N 3.49Å |
| 134 | K | 30.4 | Very low | 28.3 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -119.2 | 8 | 176.3 | -101.3 | -175.6 | 177.4 | 179 | 0 | 115.2 | E131 | E131-K134 PolarHBondContact O-N 3.42Š|
| 135 | K | 27.2 | Very low | 28.4 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -138.6 | 144.9 | 172.2 | -69.8 | -178.5 | 177.1 | 173.8 | 0 | 109 | ||||
| 136 | N | 28.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 85 | 97.4 | -160.4 | -54.7 | 13.5 | 0 | 0 | 0 | 112.1 | ||
| 137 | N | 27.4 | Very low | 28.1 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -86.9 | 126.2 | 0.4 | -55.2 | -41.9 | 0 | 0 | 0 | 109.5 | ||
| 138 | E | 26.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 143 Ų | 143 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | cis | 58.5 | 82.3 | 41 | -63.7 | -162.5 | 154.7 | 0 | 0 | 114.3 | ||||
| 139 | N | 25.7 | Very low | 28.1 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | trans | -139.1 | 118.8 | 130.4 | -91 | -44 | 0 | 0 | 0 | 107.7 | ||||
| 140 | A | 27.6 | Very low | 27.9 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | trans | 29 | 142 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 141 | M | 29.5 | Very low | 27.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | cis | -158.4 | 142.9 | 8.2 | -107.4 | 151.3 | 63.1 | 0 | 0 | 106.1 | ||||
| 142 | E | 28.6 | Very low | 27.6 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | 48 | 132.2 | 91.9 | -63.7 | -176.1 | 160.6 | 0 | 0 | 114.6 | |||||
| 143 | C | 25.5 | Very low | 27.7 | Very low | 100 Ų | 100 | 134 Ų | 134 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | cis | -165.5 | 172.7 | -2.2 | -132.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 144 | D | 26.3 | Very low | 27.6 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | 70.1 | 142.2 | 148.6 | -62.6 | -34.6 | 0 | 0 | 0 | 125.6 | ||||
| 145 | T | 28.9 | Very low | 27.4 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | 98.1 | 140.1 | 153.2 | 69.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 146 | C | 25.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | -95.9 | 145.4 | -164.2 | -48.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 147 | D | 27 | Very low | 27.3 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | 171.7 | 148.7 | 122.5 | -93.7 | -15.6 | 0 | 0 | 0 | 111.5 | |||||
| 148 | P | 31 | Very low | 27.3 | Very low | 86 Ų | 86 | 127 Ų | 127 | 56% | 0.558 | 70% | 0.703 | S | S | * | * | trans | -127.1 | 109.4 | -148.5 | 43.9 | -28.2 | 0 | 0 | 0 | 115.2 | T240 | P148-T240 HydrophobicContact CB-CG2 3.69Å; P148-T240 HydrophobicContact CG-CG2 4.39Å; P148-T240 WeakPolarHBondContact O-CG2 3.31Å | ||
| 149 | Q | 27.2 | Very low | 27.4 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | trans | -162.1 | 96.8 | 173.6 | -74.9 | -157.2 | -30 | 0 | 0 | 120.9 | T240 K241 | Q149-T240 VanDerWaalsContact C-CA 3.47Å; Q149-T240 VanDerWaalsContact CA-CA 3.44Å; Q149-K241 VanDerWaalsContact C-CG 3.47Å; Q149-K241 VanDerWaalsContact N-N 3.14Å; Q149-K241 WeakPolarHBondContact O-CB 3.4Å; Q149-K241 WeakPolarHBondContact O-CD 3.44Å; Q149-K241 VanDerWaalsContact O-CE 3.26Å; Q149-K241 WeakPolarHBondContact O-CE 3.48Å; Q149-K241 WeakPolarHBondContact O-CG 3.3Å; Q149-K241 PolarHBondContact O-NZ 2.78Å | ||
| 150 | T | 26.5 | Very low | 28.1 | Very low | 54 Ų | 54 | 122.2 Ų | 122.2 | 33% | 0.331 | 69% | 0.693 | S | S | . | * | trans | 87.1 | 91.1 | -178.2 | 101.7 | 0 | 0 | 0 | 0 | 127.3 | D239 T240 K241 | T150-D239 HydrophobicContact CG2-CB 3.97Å; T150-D239 WeakPolarHBondContact CG2-OD1 3.3Å; T150-T240 CarbonylContact C-O 3.39Å; T150-T240 VanDerWaalsContact CA-C 3.47Å; T150-K241 VanDerWaalsContact O-CA 3.29Å; T150-K241 WeakPolarHBondContact O-CA 3.47Å; T150-K241 WeakPolarHBondContact O-CG 3.12Å; T150-K241 WeakPolarHBondContact OG1-CE 3.2Å; T150-K241 VanDerWaalsContact OG1-CG 3.31Å; T150-K241 WeakPolarHBondContact OG1-CG 2.99Å; T150-K241 PolarHBondContact OG1-NZ 3.24Å | ||
| 151 | V | 29.3 | Very low | 29.3 | Very low | 87 Ų | 87 | 120 Ų | 120 | 53% | 0.527 | 67% | 0.67 | S | S | . | * | trans | -134.8 | 115.7 | 151.7 | -177 | 0 | 0 | 0 | 0 | 108.5 | T240 | V151-T240 VanDerWaalsContact N-C 3.32Å; V151-T240 PolarHBondContact N-O 3.34Å | ||
| 152 | I | 27.5 | Very low | 30.4 | Very low | 158 Ų | 158 | 118.5 Ų | 118.5 | 81% | 0.81 | 66% | 0.661 | S | S | * | * | trans | -88.7 | 124.3 | 178.1 | -62.9 | 166.7 | 0 | 0 | 0 | 107.5 | S154 | I152-S154 PolarHBondContact O-N 3.28Š| ||
| 153 | H | 28.7 | Very low | 32.1 | Very low | 164 Ų | 164 | 112.2 Ų | 112.2 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | trans | -65.7 | 108.2 | 179.4 | -75.3 | -79 | 0 | 0 | 0 | 110.9 | ||||
| 154 | S | 25.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -55.1 | 145.7 | 153.1 | 38.6 | 0 | 0 | 0 | 0 | 109.2 | I152 Q156 | I152-S154 PolarHBondContact O-N 3.28Å; S154-Q156 PolarHBondContact O-N 2.74Å | ||
| 155 | P | 26.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 109.7 Ų | 109.7 | 77% | 0.773 | 60% | 0.604 | S | S | * | * | trans | -59.5 | 115.5 | 176.2 | 25.6 | -32.7 | 0 | 0 | 0 | 107.2 | I157 | P155-I157 PolarHBondContact O-N 3.08Š| ||
| 156 | Q | 26.7 | Very low | 37.1 | Very low | 162 Ų | 162 | 103.8 Ų | 103.8 | 76% | 0.757 | 57% | 0.568 | S | S | * | * | trans | -57.3 | 114.7 | 179 | -76.2 | -177 | -15.3 | 0 | 0 | 107.3 | S154 L158 | S154-Q156 PolarHBondContact O-N 2.74Å; Q156-L158 VanDerWaalsContact C-N 3.3Å; Q156-L158 PolarHBondContact O-N 3.17Å | ||
| 157 | I | 27.1 | Very low | 39.1 | Very low | 139 Ų | 139 | 98.6 Ų | 98.6 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | trans | -55.8 | 103 | 168.1 | -61.5 | 169.4 | 0 | 0 | 0 | 104.5 | P155 P159 | P155-I157 PolarHBondContact O-N 3.08Å; I157-P159 VanDerWaalsContact O-N 3.1Å | ||
| 158 | L | 27.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 94.3 Ų | 94.3 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | trans | -53.9 | 124.3 | 170.9 | -89.4 | 108.7 | 0 | 0 | 0 | 105.6 | Q156 | Q156-L158 VanDerWaalsContact C-N 3.3Å; Q156-L158 PolarHBondContact O-N 3.17Å | ||
| 159 | P | 28.8 | Very low | 42.2 | Very low | 92 Ų | 92 | 96.5 Ų | 96.5 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | trans | -54.8 | 139.1 | 176.3 | 24.4 | -33 | 0 | 0 | 0 | 107.2 | I157 V161 | I157-P159 VanDerWaalsContact O-N 3.1Å; P159-V161 PolarHBondContact O-N 2.94Å | ||
| 160 | P | 39.5 | Very low | 43.6 | Very low | 111 Ų | 111 | 90.4 Ų | 90.4 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | trans | -55.8 | 114.9 | 179.9 | 23.7 | -32.9 | 0 | 0 | 0 | 107.5 | Q162 | P160-Q162 PolarHBondContact O-N 2.83Š| ||
| 161 | V | 52.1 | Low | 45 | Very low | 42 Ų | 42 | 89 Ų | 89 | 26% | 0.255 | 48% | 0.479 | S | S | . | . | trans | -62.1 | 104.3 | -178 | -175.2 | 0 | 0 | 0 | 0 | 106.1 | P159 R163 E165 I166 | P159-V161 PolarHBondContact O-N 2.94Å; V161-R163 PolarHBondContact O-N 3.02Å; V161-E165 HydrophobicContact CG1-CB 4.46Å; V161-I166 HydrophobicContact CG1-CD1 4.03Å; V161-I166 HydrophobicContact CG1-CG1 3.57Å | ||
| 162 | Q | 53.3 | Low | 46.4 | Very low | 126 Ų | 126 | 87 Ų | 87 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | trans | -64.9 | 138.6 | -173.9 | -68.7 | -176.9 | -14.1 | 0 | 0 | 107.7 | P160 Q164 E165 I166 | P160-Q162 PolarHBondContact O-N 2.83Å; Q162-Q164 PolarHBondContact O-N 2.82Å; Q162-E165 WeakPolarHBondContact O-CA 3.32Å; Q162-E165 WeakPolarHBondContact O-CB 3.17Å; Q162-E165 PolarHBondContact O-N 2.96Å; Q162-I166 PolarHBondContact O-N 3.35Å | ||
| 163 | R | 64.4 | Low | 47.6 | Very low | 37 Ų | 37 | 83.9 Ų | 83.9 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -52.4 | -33.6 | 179.7 | -73.9 | 169.4 | 171.8 | -91.4 | -7.9 | 111.7 | F95 V161 I166 N167 D277 D336 | F95-R163 VanDerWaalsContact CE1-CZ 3.44Å; F95-R163 VanDerWaalsContact CE1-NH1 3.31Å; V161-R163 PolarHBondContact O-N 3.02Å; R163-I166 PolarHBondContact O-N 3.3Å; R163-N167 PolarHBondContact O-N 3.28Å; R163-N167 PolarHBondContact O-OD1 3.41Å; R163-D277 IonicContact NH2-OD1 3.73Å; R163-D336 IonicContact CZ-OD2 3.09Å; R163-D336 IonicContact NH1-OD1 2.67Å; R163-D336 IonicContact NH1-OD2 2.74Å; R163-D336 PolarHBondContact NH1-OD2 2.97Å |
| 164 | Q | 61.8 | Low | 48.5 | Very low | 98 Ų | 98 | 82.5 Ų | 82.5 | 46% | 0.458 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 171.3 | -68.2 | 174.2 | -12.8 | 0 | 0 | 113.1 | N93 Q162 I166 N167 S168 | N93-Q164 PolarHBondContact O-NE2 2.92Å; Q162-Q164 PolarHBondContact O-N 2.82Å; Q164-I166 VanDerWaalsContact C-N 3.28Å; Q164-I166 PolarHBondContact O-N 3.28Å; Q164-N167 CarbonylContact O-C 3.51Å; Q164-N167 WeakPolarHBondContact O-CA 3.48Å; Q164-N167 WeakPolarHBondContact O-CB 3.27Å; Q164-N167 PolarHBondContact O-N 2.88Å; Q164-S168 PolarHBondContact O-N 3.47Å |
| 165 | E | 61.1 | Low | 49.3 | Very low | 85 Ų | 85 | 85.6 Ų | 85.6 | 40% | 0.397 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -32.1 | 175.1 | -160.1 | -158.2 | 140.7 | 0 | 0 | 112.5 | V161 Q162 S168 R169 | V161-E165 HydrophobicContact CG1-CB 4.46Å; Q162-E165 WeakPolarHBondContact O-CA 3.32Å; Q162-E165 WeakPolarHBondContact O-CB 3.17Å; Q162-E165 PolarHBondContact O-N 2.96Å; E165-S168 PolarHBondContact O-OG 3.35Å; E165-R169 WeakPolarHBondContact O-CG 3.08Å; E165-R169 PolarHBondContact O-N 3.43Å; E165-R169 IonicContact OE1-CZ 2.68Å; E165-R169 IonicContact OE1-NE 2.79Å; E165-R169 IonicContact OE1-NH2 2.66Å; E165-R169 PolarHBondContact OE1-NH2 3.24Å |
| 166 | I | 61.8 | Low | 50.1 | Low | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.015 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -74.5 | -34.5 | 173.8 | -40.8 | 177.1 | 0 | 0 | 0 | 110.4 | V161 Q162 R163 Q164 R169 L170 T281 | V161-I166 HydrophobicContact CG1-CD1 4.03Å; V161-I166 HydrophobicContact CG1-CG1 3.57Å; Q162-I166 PolarHBondContact O-N 3.35Å; R163-I166 PolarHBondContact O-N 3.3Å; Q164-I166 VanDerWaalsContact C-N 3.28Å; Q164-I166 PolarHBondContact O-N 3.28Å; I166-R169 PolarHBondContact O-N 2.87Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 2.96Å; I166-T281 HydrophobicContact CD1-CG2 4.46Å |
| 167 | N | 68.5 | Low | 50.6 | Low | 9 Ų | 9 | 84.6 Ų | 84.6 | 5% | 0.048 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.7 | -32.4 | 176.3 | -62 | -4.3 | 0 | 0 | 0 | 112 | G94 R163 Q164 L170 G171 L172 R340 | G94-N167 PolarHBondContact O-ND2 3.42Å; R163-N167 PolarHBondContact O-N 3.28Å; R163-N167 PolarHBondContact O-OD1 3.41Å; Q164-N167 CarbonylContact O-C 3.51Å; Q164-N167 WeakPolarHBondContact O-CA 3.48Å; Q164-N167 WeakPolarHBondContact O-CB 3.27Å; Q164-N167 PolarHBondContact O-N 2.88Å; N167-L170 CarbonylContact O-C 3.55Å; N167-L170 WeakPolarHBondContact O-CA 3.44Å; N167-L170 WeakPolarHBondContact O-CB 3.02Å; N167-L170 PolarHBondContact O-N 3.36Å; N167-L170 VanDerWaalsContact O-N 3.13Å; N167-G171 PolarHBondContact O-N 2.63Å; N167-L172 PolarHBondContact O-N 3.47Å; N167-R340 PolarHBondContact OD1-NH1 3.22Å; N167-R340 PolarHBondContact OD1-NH2 3.32Å |
| 168 | S | 62.7 | Low | 51 | Low | 59 Ų | 59 | 80.5 Ų | 80.5 | 41% | 0.413 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 172.3 | 78.7 | 0 | 0 | 0 | 0 | 111.8 | Q164 E165 L170 G171 E173 | Q164-S168 PolarHBondContact O-N 3.47Å; E165-S168 PolarHBondContact O-OG 3.35Å; S168-L170 PolarHBondContact O-N 3.46Å; S168-G171 PolarHBondContact O-N 3.11Å; S168-E173 WeakPolarHBondContact CB-OE1 3.19Å |
| 169 | R | 59.5 | Low | 51.6 | Low | 132 Ų | 132 | 78.6 Ų | 78.6 | 50% | 0.498 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -21 | 171.4 | -63.7 | 177.8 | -166.2 | -165.2 | 5.5 | 113.7 | E165 I166 | E165-R169 WeakPolarHBondContact O-CG 3.08Å; E165-R169 PolarHBondContact O-N 3.43Å; E165-R169 IonicContact OE1-CZ 2.68Å; E165-R169 IonicContact OE1-NE 2.79Å; E165-R169 IonicContact OE1-NH2 2.66Å; E165-R169 PolarHBondContact OE1-NH2 3.24Å; I166-R169 PolarHBondContact O-N 2.87Å |
| 170 | L | 57.7 | Low | 51.9 | Low | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -87.5 | -12.8 | 172.5 | -76.2 | 159 | 0 | 0 | 0 | 113.2 | L96 I166 N167 S168 L172 W288 C343 | L96-L170 HydrophobicContact CD1-CD1 3.81Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 2.96Å; N167-L170 CarbonylContact O-C 3.55Å; N167-L170 WeakPolarHBondContact O-CA 3.44Å; N167-L170 WeakPolarHBondContact O-CB 3.02Å; N167-L170 PolarHBondContact O-N 3.36Å; N167-L170 VanDerWaalsContact O-N 3.13Å; S168-L170 PolarHBondContact O-N 3.46Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 HydrophobicContact CB-CB 4.32Å; L170-L172 HydrophobicContact CB-CD1 3.96Å; L170-L172 HydrophobicContact CB-CG 4Å; L170-W288 HydrophobicContact CD2-CD2 4.4Å; L170-W288 HydrophobicContact CD2-CE3 4.2Å; L170-W288 HydrophobicContact CD2-CH2 3.23Å; L170-W288 HydrophobicContact CD2-CZ2 3.46Å; L170-W288 VanDerWaalsContact CD2-CZ2 3.46Å; L170-W288 HydrophobicContact CD2-CZ3 3.62Å; L170-W288 HydrophobicContact CG-CH2 4.45Å; L170-C343 HydrophobicContact CD2-CB 4.14Å |
| 171 | G | 55.7 | Low | 51.8 | Low | 25 Ų | 25 | 78.7 Ų | 78.7 | 26% | 0.258 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 15.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y105 N167 S168 | Y105-G171 WeakPolarHBondContact CE1-O 3.33Å; N167-G171 PolarHBondContact O-N 2.63Å; S168-G171 PolarHBondContact O-N 3.11Å |
| 172 | L | 59.1 | Low | 51.1 | Low | 43 Ų | 43 | 81.3 Ų | 81.3 | 23% | 0.225 | 42% | 0.419 | C | S | . | . | trans | -103.4 | 47.2 | -170 | -65.1 | 175.3 | 0 | 0 | 0 | 113.2 | L96 Y105 V106 N167 L170 | L96-L172 HydrophobicContact CD1-CD1 3.94Å; L96-L172 HydrophobicContact CD2-CB 4.14Å; L96-L172 HydrophobicContact CD2-CD1 4.01Å; Y105-L172 HydrophobicContact CD1-CD2 4.36Å; V106-L172 HydrophobicContact CG2-CD1 4.24Å; V106-L172 HydrophobicContact CG2-CD2 4.03Å; V106-L172 HydrophobicContact CG2-CG 4.46Å; N167-L172 PolarHBondContact O-N 3.47Å; L170-L172 VanDerWaalsContact C-N 3.3Å; L170-L172 HydrophobicContact CB-CB 4.32Å; L170-L172 HydrophobicContact CB-CD1 3.96Å; L170-L172 HydrophobicContact CB-CG 4Å | ||
| 173 | E | 51.2 | Low | 50.6 | Low | 94 Ų | 94 | 83 Ų | 83 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | trans | -101.2 | 120.7 | 175.9 | -69.9 | -166.1 | 162.7 | 0 | 0 | 112.7 | S168 L178 | S168-E173 WeakPolarHBondContact CB-OE1 3.19Å; E173-L178 WeakPolarHBondContact O-CD1 3.26Å | ||
| 174 | N | 48.7 | Very low | 49.5 | Very low | 134 Ų | 134 | 85 Ų | 85 | 72% | 0.717 | 45% | 0.447 | S | S | * | . | trans | 36.4 | 98.4 | 160.2 | -62.8 | -30.7 | 0 | 0 | 0 | 117.7 | N176 L177 | N174-N176 PolarHBondContact O-N 3.42Å; N174-L177 PolarHBondContact O-N 3.49Å | ||
| 175 | D | 41.8 | Very low | 48.5 | Very low | 159 Ų | 159 | 86.5 Ų | 86.5 | 85% | 0.85 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 1 | 179.7 | -75.2 | -40.4 | 0 | 0 | 0 | 118.4 | ||
| 176 | N | 42.8 | Very low | 47.2 | Very low | 150 Ų | 150 | 86.3 Ų | 86.3 | 80% | 0.802 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -8 | -178.2 | -73.3 | -29.9 | 0 | 0 | 0 | 115.2 | N174 | N174-N176 PolarHBondContact O-N 3.42Š|
| 177 | L | 37 | Very low | 45.9 | Very low | 110 Ų | 110 | 93.8 Ų | 93.8 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -33.2 | -179.1 | -102.7 | 159.4 | 0 | 0 | 0 | 113.6 | N174 T179 E180 V181 | N174-L177 PolarHBondContact O-N 3.49Å; L177-T179 VanDerWaalsContact C-N 3.25Å; L177-T179 PolarHBondContact O-N 3.16Å; L177-E180 PolarHBondContact O-N 3.35Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 2.99Å |
| 178 | L | 36.2 | Very low | 44.2 | Very low | 54 Ų | 54 | 99 Ų | 99 | 28% | 0.283 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -30.4 | 179.9 | -114.3 | 152.4 | 0 | 0 | 0 | 112.5 | E173 L182 | E173-L178 WeakPolarHBondContact O-CD1 3.26Å; L178-L182 HydrophobicContact CD2-CD1 3.69Å; L178-L182 HydrophobicContact CD2-CG 3.95Å; L178-L182 VanDerWaalsContact O-CB 3.25Å; L178-L182 WeakPolarHBondContact O-CB 3.34Å; L178-L182 WeakPolarHBondContact O-CD1 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.11Å |
| 179 | T | 39.8 | Very low | 42.7 | Very low | 86 Ų | 86 | 98.1 Ų | 98.1 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 174.8 | -36.3 | 0 | 0 | 0 | 0 | 112.5 | L177 E183 | L177-T179 VanDerWaalsContact C-N 3.25Å; L177-T179 PolarHBondContact O-N 3.16Å; T179-E183 WeakPolarHBondContact O-CG 3.33Å; T179-E183 PolarHBondContact O-N 3.19Å |
| 180 | E | 34.6 | Very low | 41.5 | Very low | 137 Ų | 137 | 95.9 Ų | 95.9 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.2 | -36.2 | 177.1 | -106.5 | -176.6 | 170 | 0 | 0 | 112.2 | L177 S184 | L177-E180 PolarHBondContact O-N 3.35Å; E180-S184 WeakPolarHBondContact O-CB 3.35Å; E180-S184 PolarHBondContact O-N 3.49Å; E180-S184 PolarHBondContact O-OG 2.92Å |
| 181 | V | 38 | Very low | 40.3 | Very low | 67 Ų | 67 | 99.9 Ų | 99.9 | 41% | 0.406 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71 | -38.3 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L177 S184 H185 | L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 2.99Å; V181-S184 WeakPolarHBondContact CA-OG 3.3Å; V181-S184 PolarHBondContact O-N 3.41Å; V181-S184 PolarHBondContact O-OG 3.31Å; V181-H185 WeakPolarHBondContact O-CB 3.42Å; V181-H185 PolarHBondContact O-N 3.48Å |
| 182 | L | 37.9 | Very low | 39.4 | Very low | 97 Ų | 97 | 107.5 Ų | 107.5 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.2 | -30.7 | 176.7 | -70.5 | 169.9 | 0 | 0 | 0 | 113 | L178 S184 | L178-L182 HydrophobicContact CD2-CD1 3.69Å; L178-L182 HydrophobicContact CD2-CG 3.95Å; L178-L182 VanDerWaalsContact O-CB 3.25Å; L178-L182 WeakPolarHBondContact O-CB 3.34Å; L178-L182 WeakPolarHBondContact O-CD1 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.11Å; L182-S184 VanDerWaalsContact C-N 3.31Å |
| 183 | E | 41.4 | Very low | 38.2 | Very low | 163 Ų | 163 | 116.7 Ų | 116.7 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.6 | -21.7 | 170.7 | -75.2 | -172.4 | 170.9 | 0 | 0 | 113.4 | T179 | T179-E183 WeakPolarHBondContact O-CG 3.33Å; T179-E183 PolarHBondContact O-N 3.19Å |
| 184 | S | 42.4 | Very low | 37.3 | Very low | 79 Ų | 79 | 117 Ų | 117 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -102.5 | -13.6 | -177.9 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | E180 V181 L182 | E180-S184 WeakPolarHBondContact O-CB 3.35Å; E180-S184 PolarHBondContact O-N 3.49Å; E180-S184 PolarHBondContact O-OG 2.92Å; V181-S184 WeakPolarHBondContact CA-OG 3.3Å; V181-S184 PolarHBondContact O-N 3.41Å; V181-S184 PolarHBondContact O-OG 3.31Å; L182-S184 VanDerWaalsContact C-N 3.31Å |
| 185 | H | 40.4 | Very low | 36.4 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | trans | -123.5 | 46.4 | -179.6 | -70.9 | -53.5 | 0 | 0 | 0 | 114.6 | V181 D187 | V181-H185 WeakPolarHBondContact O-CB 3.42Å; V181-H185 PolarHBondContact O-N 3.48Å; H185-D187 PolarHBondContact O-N 3.29Å | ||
| 186 | A | 33.7 | Very low | 36.1 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -2.3 | 179 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 187 | D | 34 | Very low | 35.8 | Very low | 160 Ų | 160 | 112.4 Ų | 112.4 | 86% | 0.856 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 6.9 | -167 | -70.2 | -23.3 | 0 | 0 | 0 | 115.6 | H185 S189 | H185-D187 PolarHBondContact O-N 3.29Å; D187-S189 PolarHBondContact O-N 3.26Å |
| 188 | V | 34 | Very low | 35.9 | Very low | 118 Ų | 118 | 112.6 Ų | 112.6 | 72% | 0.715 | 60% | 0.597 | S | S | * | * | trans | -91.6 | 86.8 | -178.1 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 189 | S | 30.1 | Very low | 35.9 | Very low | 42 Ų | 42 | 117.3 Ų | 117.3 | 29% | 0.294 | 62% | 0.616 | S | S | . | * | trans | -65.5 | 142.7 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 113.9 | D187 D191 | D187-S189 PolarHBondContact O-N 3.26Å; S189-D191 PolarHBondContact O-N 3.39Å; S189-D191 WeakPolarHBondContact OG-CB 3.39Å; S189-D191 PolarHBondContact OG-N 2.66Å; S189-D191 VanDerWaalsContact OG-N 3.15Å; S189-D191 PolarHBondContact OG-OD2 3.07Å | ||
| 190 | I | 33.9 | Very low | 35.4 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 44% | 0.436 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -62.9 | -17.8 | 170.3 | -76.3 | 165.9 | 0 | 0 | 0 | 112.5 | K192 W193 I407 C409 | I190-K192 PolarHBondContact O-N 2.98Å; I190-W193 PolarHBondContact O-N 3.08Å; I190-I407 HydrophobicContact CD1-CG2 3.78Å; I190-C409 HydrophobicContact CB-CB 4.34Å; I190-C409 VanDerWaalsContact CB-SG 3.57Å; I190-C409 HydrophobicContact CD1-CB 4.41Å; I190-C409 PolarHBondContact N-SG 3.19Å |
| 191 | D | 33 | Very low | 35.2 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -57.1 | -6.8 | 178.3 | -55.6 | -37.2 | 0 | 0 | 0 | 114.3 | S189 Q410 | S189-D191 PolarHBondContact O-N 3.39Å; S189-D191 WeakPolarHBondContact OG-CB 3.39Å; S189-D191 PolarHBondContact OG-N 2.66Å; S189-D191 VanDerWaalsContact OG-N 3.15Å; S189-D191 PolarHBondContact OG-OD2 3.07Å; D191-Q410 PolarHBondContact OD2-NE2 3.42Å |
| 192 | K | 37.3 | Very low | 34.8 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -90.9 | -12.4 | 173.9 | -80.4 | -178.6 | 177.7 | 170.2 | 0 | 115.3 | I190 | I190-K192 PolarHBondContact O-N 2.98Š|
| 193 | W | 34.1 | Very low | 34.5 | Very low | 236 Ų | 236 | 125.8 Ų | 125.8 | 89% | 0.894 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -10.9 | -172.6 | -76.4 | 49.7 | 0 | 0 | 0 | 113.5 | I190 | I190-W193 PolarHBondContact O-N 3.08Š|
| 194 | I | 32.4 | Very low | 33.9 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 52% | 0.518 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -139.6 | 122.4 | 173.9 | -55.9 | 176.4 | 0 | 0 | 0 | 107.1 | F199 | I194-F199 HydrophobicContact CG2-CE2 3.91Š|
| 195 | T | 29.6 | Very low | 33.3 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | trans | -87 | 141.9 | 177.9 | 14.2 | 0 | 0 | 0 | 0 | 110.7 | D197 D198 | T195-D197 PolarHBondContact O-N 3Å; T195-D198 WeakPolarHBondContact CB-OD2 3.25Å; T195-D198 PolarHBondContact N-OD2 2.95Å; T195-D198 PolarHBondContact O-N 3.23Å; T195-D198 VanDerWaalsContact O-N 3.17Å; T195-D198 VanDerWaalsContact O-OD2 3.11Å; T195-D198 PolarHBondContact OG1-OD2 3.13Å | ||
| 196 | T | 36 | Very low | 32.7 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -64.4 | -12.3 | -179 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | D198 | T196-D198 VanDerWaalsContact C-N 3.34Š|
| 197 | D | 35.9 | Very low | 32.4 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -80.5 | -15.7 | 178.8 | -62.5 | -20.4 | 0 | 0 | 0 | 112.6 | T195 F199 | T195-D197 PolarHBondContact O-N 3Å; D197-F199 PolarHBondContact O-N 3.28Å; D197-F199 VanDerWaalsContact O-N 3.14Å |
| 198 | D | 38.5 | Very low | 32.2 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -76.6 | 4.8 | -175.2 | -63 | -55.6 | 0 | 0 | 0 | 114.4 | T195 T196 | T195-D198 WeakPolarHBondContact CB-OD2 3.25Å; T195-D198 PolarHBondContact N-OD2 2.95Å; T195-D198 PolarHBondContact O-N 3.23Å; T195-D198 VanDerWaalsContact O-N 3.17Å; T195-D198 VanDerWaalsContact O-OD2 3.11Å; T195-D198 PolarHBondContact OG1-OD2 3.13Å; T196-D198 VanDerWaalsContact C-N 3.34Å |
| 199 | F | 36.1 | Very low | 31.8 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -116.1 | 1.7 | -165.6 | -90.7 | -77.1 | 0 | 0 | 0 | 117.6 | I194 D197 | I194-F199 HydrophobicContact CG2-CE2 3.91Å; D197-F199 PolarHBondContact O-N 3.28Å; D197-F199 VanDerWaalsContact O-N 3.14Å |
| 200 | N | 31.2 | Very low | 31.7 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | -125.4 | 0.1 | -160.1 | -88.5 | -41.9 | 0 | 0 | 0 | 120.7 | ||||
| 201 | D | 30.1 | Very low | 31.4 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | trans | -107 | 76.6 | -176.2 | -86.2 | -17.7 | 0 | 0 | 0 | 115.1 | ||||
| 202 | E | 29.9 | Very low | 31.3 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | -83.1 | 142.7 | 154.6 | -68.2 | -168.5 | 146.8 | 0 | 0 | 111 | ||||
| 203 | T | 30.6 | Very low | 30.9 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 54% | 0.54 | 67% | 0.672 | S | S | . | * | trans | 147.4 | 116.9 | 133 | 48.7 | 0 | 0 | 0 | 0 | 116.2 | P732 S733 S734 | T203-P732 CarbonylContact C-O 3.58Å; T203-P732 CarbonylContact O-C 3.57Å; T203-S733 CarbonylContact O-C 3.26Å; T203-S733 WeakPolarHBondContact O-CA 3.41Å; T203-S733 PolarHBondContact O-N 2.85Å; T203-S734 CarbonylContact C-O 3.37Å; T203-S734 PolarHBondContact N-OG 3.06Å; T203-S734 PolarHBondContact O-N 2.85Å | ||
| 204 | Q | 28.2 | Very low | 30.7 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 42% | 0.421 | 65% | 0.649 | S | S | . | * | trans | 92 | 147.6 | 157 | -32.9 | 172.1 | -138.1 | 0 | 0 | 128.9 | I731 P732 S733 S734 N735 | Q204-I731 PolarHBondContact NE2-O 2.9Å; Q204-I731 PolarHBondContact OE1-O 2.66Å; Q204-P732 WeakPolarHBondContact CB-O 3.48Å; Q204-P732 WeakPolarHBondContact CG-O 3.21Å; Q204-P732 PolarHBondContact OE1-O 3.36Å; Q204-S733 VanDerWaalsContact C-CA 3.46Å; Q204-S733 CarbonylContact O-C 3.56Å; Q204-S733 WeakPolarHBondContact O-CA 3.42Å; Q204-S733 WeakPolarHBondContact O-CB 3.34Å; Q204-S734 VanDerWaalsContact C-N 3.3Å; Q204-S734 CarbonylContact C-O 3.51Å; Q204-S734 WeakPolarHBondContact CA-O 3.36Å; Q204-S734 VanDerWaalsContact N-N 3.14Å; Q204-S734 PolarHBondContact N-O 3.05Å; Q204-S734 CarbonylContact O-C 3.51Å; Q204-S734 WeakPolarHBondContact O-CA 3.48Å; Q204-S734 PolarHBondContact O-N 2.67Å; Q204-N735 PolarHBondContact O-N 3.18Å | ||
| 205 | P | 30 | Very low | 30.6 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | trans | -77.1 | 155 | -179.9 | -14.9 | 32.2 | 0 | 0 | 0 | 115.3 | N735 | P205-N735 VanDerWaalsContact CA-OD1 3.26Å; P205-N735 WeakPolarHBondContact CA-OD1 3.4Å; P205-N735 HydrophobicContact CB-CB 4.4Å; P205-N735 VanDerWaalsContact CB-OD1 3.25Å; P205-N735 WeakPolarHBondContact CB-OD1 3.13Å | ||
| 206 | G | 29.1 | Very low | 30.7 | Very low | 42 Ų | 42 | 118.7 Ų | 118.7 | 43% | 0.433 | 65% | 0.654 | S | S | . | * | trans | 178.9 | 108.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 207 | F | 27.1 | Very low | 30.5 | Very low | 213 Ų | 213 | 120.9 Ų | 120.9 | 93% | 0.934 | 65% | 0.649 | S | S | * | * | trans | 79.6 | 130.1 | 152.2 | -75 | -84.4 | 0 | 0 | 0 | 124.1 | ||||
| 208 | A | 28.5 | Very low | 30.3 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | trans | 79.2 | 113.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | V210 | A208-V210 PolarHBondContact O-N 3.02Š| ||
| 209 | Q | 26 | Very low | 29.9 | Very low | 201 Ų | 201 | 115.6 Ų | 115.6 | 94% | 0.939 | 64% | 0.637 | S | S | * | * | trans | -49.2 | 112.8 | 164.3 | -63.2 | 162.6 | -59.7 | 0 | 0 | 111.8 | ||||
| 210 | V | 28.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | trans | -129.1 | 142.1 | 153.1 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | A208 V212 | A208-V210 PolarHBondContact O-N 3.02Å; V210-V212 PolarHBondContact O-N 3.06Å | ||
| 211 | D | 28 | Very low | 29.4 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | trans | -65.9 | 115.6 | -163.1 | -176.2 | 12.5 | 0 | 0 | 0 | 113.3 | E213 S214 C215 | D211-E213 PolarHBondContact O-N 3.33Å; D211-E213 WeakPolarHBondContact OD1-CA 3.13Å; D211-E213 WeakPolarHBondContact OD1-CB 3.46Å; D211-E213 PolarHBondContact OD1-N 2.97Å; D211-S214 WeakPolarHBondContact O-CA 3.45Å; D211-S214 VanDerWaalsContact O-CB 3.23Å; D211-S214 WeakPolarHBondContact O-CB 3.46Å; D211-S214 PolarHBondContact O-N 3.24Å; D211-S214 PolarHBondContact OD2-N 2.69Å; D211-C215 PolarHBondContact O-N 3.33Å; D211-C215 VanDerWaalsContact O-N 3.15Å | ||
| 212 | V | 30.3 | Very low | 29.3 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.3 | -25.3 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | V210 S214 C215 V216 | V210-V212 PolarHBondContact O-N 3.06Å; V212-S214 PolarHBondContact O-N 3.31Å; V212-C215 PolarHBondContact O-N 2.78Å; V212-V216 WeakPolarHBondContact O-CG2 3.35Å; V212-V216 PolarHBondContact O-N 3.27Å |
| 213 | E | 29.4 | Very low | 29.2 | Very low | 121 Ų | 121 | 113.4 Ų | 113.4 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.6 | -22.3 | 171.7 | -142.4 | -172.6 | 123.8 | 0 | 0 | 112 | D211 R217 | D211-E213 PolarHBondContact O-N 3.33Å; D211-E213 WeakPolarHBondContact OD1-CA 3.13Å; D211-E213 WeakPolarHBondContact OD1-CB 3.46Å; D211-E213 PolarHBondContact OD1-N 2.97Å; E213-R217 WeakPolarHBondContact O-CG 3.45Å; E213-R217 IonicContact OE1-CZ 3.08Å; E213-R217 IonicContact OE1-NH1 3.82Å; E213-R217 PolarHBondContact OE1-NH1 2.82Å; E213-R217 IonicContact OE1-NH2 2.72Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å |
| 214 | S | 29.6 | Very low | 29 | Very low | 60 Ų | 60 | 114.7 Ų | 114.7 | 42% | 0.42 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -78.5 | -44.1 | 169 | 179 | 0 | 0 | 0 | 0 | 111.7 | D211 V212 V216 R217 S218 | D211-S214 WeakPolarHBondContact O-CA 3.45Å; D211-S214 VanDerWaalsContact O-CB 3.23Å; D211-S214 WeakPolarHBondContact O-CB 3.46Å; D211-S214 PolarHBondContact O-N 3.24Å; D211-S214 PolarHBondContact OD2-N 2.69Å; V212-S214 PolarHBondContact O-N 3.31Å; S214-V216 VanDerWaalsContact C-N 3.35Å; S214-V216 PolarHBondContact O-N 2.96Å; S214-R217 CarbonylContact O-C 3.55Å; S214-R217 PolarHBondContact O-N 2.69Å; S214-R217 VanDerWaalsContact O-N 3.1Å; S214-S218 PolarHBondContact O-N 3.18Å; S214-S218 PolarHBondContact O-OG 3.43Å |
| 215 | C | 29.6 | Very low | 29.1 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 50% | 0.5 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67 | -30.6 | 179.7 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | D211 V212 S218 A219 | D211-C215 PolarHBondContact O-N 3.33Å; D211-C215 VanDerWaalsContact O-N 3.15Å; V212-C215 PolarHBondContact O-N 2.78Å; C215-S218 WeakPolarHBondContact CA-OG 3.43Å; C215-S218 PolarHBondContact O-OG 3.07Å; C215-A219 PolarHBondContact O-N 3.34Å |
| 216 | V | 31.7 | Very low | 29 | Very low | 109 Ų | 109 | 118 Ų | 118 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.6 | -29.9 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | V212 S214 | V212-V216 WeakPolarHBondContact O-CG2 3.35Å; V212-V216 PolarHBondContact O-N 3.27Å; S214-V216 VanDerWaalsContact C-N 3.35Å; S214-V216 PolarHBondContact O-N 2.96Å |
| 217 | R | 31.6 | Very low | 28.9 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.1 | -35.5 | 171.2 | -77.2 | 179.9 | 171.3 | 111.6 | -0.2 | 113 | E213 S214 Y220 | E213-R217 WeakPolarHBondContact O-CG 3.45Å; E213-R217 IonicContact OE1-CZ 3.08Å; E213-R217 IonicContact OE1-NH1 3.82Å; E213-R217 PolarHBondContact OE1-NH1 2.82Å; E213-R217 IonicContact OE1-NH2 2.72Å; E213-R217 PolarHBondContact OE1-NH2 2.85Å; S214-R217 CarbonylContact O-C 3.55Å; S214-R217 PolarHBondContact O-N 2.69Å; S214-R217 VanDerWaalsContact O-N 3.1Å; R217-Y220 PolarHBondContact O-N 2.79Å |
| 218 | S | 32.8 | Very low | 28.9 | Very low | 55 Ų | 55 | 121 Ų | 121 | 39% | 0.385 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -76.6 | -20.8 | -176.8 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | S214 C215 Y220 V221 A222 | S214-S218 PolarHBondContact O-N 3.18Å; S214-S218 PolarHBondContact O-OG 3.43Å; C215-S218 WeakPolarHBondContact CA-OG 3.43Å; C215-S218 PolarHBondContact O-OG 3.07Å; S218-Y220 PolarHBondContact O-N 3.41Å; S218-V221 CarbonylContact O-C 3.6Å; S218-A222 WeakPolarHBondContact O-CB 3.31Å |
| 219 | A | 29.3 | Very low | 28.8 | Very low | 87 Ų | 87 | 126.2 Ų | 126.2 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -10.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C215 | C215-A219 PolarHBondContact O-N 3.34Š|
| 220 | Y | 31.6 | Very low | 28.7 | Very low | 217 Ų | 217 | 128.2 Ų | 128.2 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -16.5 | 174.9 | -114.3 | -85.5 | 0 | 0 | 0 | 114.3 | R217 S218 | R217-Y220 PolarHBondContact O-N 2.79Å; S218-Y220 PolarHBondContact O-N 3.41Å |
| 221 | V | 26.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -152.5 | 93.8 | 170.8 | -172.1 | 0 | 0 | 0 | 0 | 111 | S218 | S218-V221 CarbonylContact O-C 3.6Š|
| 222 | A | 28.2 | Very low | 28 | Very low | 55 Ų | 55 | 133 Ų | 133 | 46% | 0.455 | 69% | 0.687 | S | S | . | * | trans | -165.5 | 91.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S218 | S218-A222 WeakPolarHBondContact O-CB 3.31Š| ||
| 223 | H | 27 | Very low | 27.6 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | -128.4 | 108.4 | 115.2 | -87.9 | -82.1 | 0 | 0 | 0 | 104.1 | |||||
| 224 | I | 26.1 | Very low | 27.3 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | 62.8 | 109.9 | 74.7 | -60.1 | 166.9 | 0 | 0 | 0 | 107.5 | |||||
| 225 | D | 30 | Very low | 27 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | -148.4 | 126.4 | 58.6 | -96.9 | -48.6 | 0 | 0 | 0 | 112.7 | |||||
| 226 | T | 28 | Very low | 26.7 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | 61.8 | 105.5 | 104.1 | 67.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 227 | D | 27.2 | Very low | 26.3 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 69% | 0.688 | S | S | * | * | -171.6 | 159.3 | 105.2 | -115.3 | -29.7 | 0 | 0 | 0 | 115.1 | |||||
| 228 | E | 28 | Very low | 25.9 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | trans | 57.4 | 84.4 | 162 | -58 | -151.8 | 138.3 | 0 | 0 | 123.2 | R230 | E228-R230 PolarHBondContact O-N 2.88Š| ||
| 229 | K | 24.7 | Very low | 25.4 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | 33.2 | 89.4 | 120.3 | -59.2 | 169.4 | -175.5 | 157.9 | 0 | 119 | |||||
| 230 | R | 25.4 | Very low | 25.3 | Very low | 243 Ų | 243 | 137.9 Ų | 137.9 | 92% | 0.917 | 69% | 0.69 | S | S | * | * | -169.4 | 155.5 | 126.1 | -102.2 | 148.4 | -174.7 | 171.8 | 2.6 | 110.8 | E228 | E228-R230 PolarHBondContact O-N 2.88Š| |||
| 231 | F | 21.1 | Very low | 24.8 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 92% | 0.917 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -67.9 | 145.6 | -168.6 | -82.8 | -116.8 | 0 | 0 | 0 | 112.5 | ||
| 232 | C | 19.7 | Very low | 24.7 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 69% | 0.689 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 76 | 141 | -176.1 | -59.3 | 0 | 0 | 0 | 0 | 116.7 | ||
| 233 | Q | 22.7 | Very low | 24.6 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 49% | 0.486 | 68% | 0.676 | S | S | . | * | trans | 82.7 | 120.3 | 140.4 | -77.2 | 151.8 | -10.3 | 0 | 0 | 121.1 | D2289 N2290 | Q233-D2289 HydrophobicContact CG-CB 3.94Å; Q233-D2289 VanDerWaalsContact NE2-CB 3.26Å; Q233-D2289 PolarHBondContact NE2-OD2 3.16Å; Q233-N2290 VanDerWaalsContact CA-OD1 3.31Å; Q233-N2290 WeakPolarHBondContact CA-OD1 3.47Å; Q233-N2290 WeakPolarHBondContact CB-OD1 3.12Å | ||
| 234 | S | 21.9 | Very low | 24.4 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | trans | 70.7 | 132.4 | 174.7 | 70 | 0 | 0 | 0 | 0 | 117.2 | N2290 | S234-N2290 WeakPolarHBondContact CA-OD1 3.41Å; S234-N2290 VanDerWaalsContact CB-OD1 3.29Å; S234-N2290 WeakPolarHBondContact CB-OD1 3.43Å; S234-N2290 PolarHBondContact N-OD1 3.33Å | ||
| 235 | P | 23.1 | Very low | 24.4 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | -138.2 | 160.6 | 76.8 | 38.7 | -23.8 | 0 | 0 | 0 | 114.2 | |||||
| 236 | V | 24.2 | Very low | 24 | Very low | 68 Ų | 68 | 138.5 Ų | 138.5 | 41% | 0.412 | 68% | 0.676 | S | S | . | * | cis | 94.9 | 103.6 | 12.9 | -175.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 237 | Q | 23.4 | Very low | 23.9 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | trans | 48.5 | 123.4 | 145.7 | -65.9 | 171.2 | -69.1 | 0 | 0 | 122.1 | ||||
| 238 | Y | 24.1 | Very low | 23.6 | Very low | 236 Ų | 236 | 135.9 Ų | 135.9 | 93% | 0.925 | 68% | 0.675 | S | S | * | * | -138.3 | 122.4 | 127.8 | -82.3 | -74.9 | 0 | 0 | 0 | 111.6 | |||||
| 239 | D | 21.9 | Very low | 23.4 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 40% | 0.401 | 67% | 0.674 | S | S | . | * | trans | -56.8 | 178.5 | 156.9 | -65.6 | -48.9 | 0 | 0 | 0 | 112.7 | T150 | T150-D239 HydrophobicContact CG2-CB 3.97Å; T150-D239 WeakPolarHBondContact CG2-OD1 3.3Å | ||
| 240 | T | 25.6 | Very low | 23.3 | Very low | 74 Ų | 74 | 131 Ų | 131 | 45% | 0.454 | 67% | 0.671 | S | S | . | * | 176.3 | 125.3 | 128.9 | 50.4 | 0 | 0 | 0 | 0 | 116.3 | P148 Q149 T150 V151 | P148-T240 HydrophobicContact CB-CG2 3.69Å; P148-T240 HydrophobicContact CG-CG2 4.39Å; P148-T240 WeakPolarHBondContact O-CG2 3.31Å; Q149-T240 VanDerWaalsContact C-CA 3.47Å; Q149-T240 VanDerWaalsContact CA-CA 3.44Å; T150-T240 CarbonylContact C-O 3.39Å; T150-T240 VanDerWaalsContact CA-C 3.47Å; V151-T240 VanDerWaalsContact N-C 3.32Å; V151-T240 PolarHBondContact N-O 3.34Å | |||
| 241 | K | 22.3 | Very low | 23.3 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 34% | 0.343 | 67% | 0.667 | S | S | . | * | trans | -99.7 | 165.1 | -152.7 | -113.1 | 174 | -147.8 | 98.7 | 0 | 115.1 | Q149 T150 | Q149-K241 VanDerWaalsContact C-CG 3.47Å; Q149-K241 VanDerWaalsContact N-N 3.14Å; Q149-K241 WeakPolarHBondContact O-CB 3.4Å; Q149-K241 WeakPolarHBondContact O-CD 3.44Å; Q149-K241 VanDerWaalsContact O-CE 3.26Å; Q149-K241 WeakPolarHBondContact O-CE 3.48Å; Q149-K241 WeakPolarHBondContact O-CG 3.3Å; Q149-K241 PolarHBondContact O-NZ 2.78Å; T150-K241 VanDerWaalsContact O-CA 3.29Å; T150-K241 WeakPolarHBondContact O-CA 3.47Å; T150-K241 WeakPolarHBondContact O-CG 3.12Å; T150-K241 WeakPolarHBondContact OG1-CE 3.2Å; T150-K241 VanDerWaalsContact OG1-CG 3.31Å; T150-K241 WeakPolarHBondContact OG1-CG 2.99Å; T150-K241 PolarHBondContact OG1-NZ 3.24Å | ||
| 242 | R | 24.7 | Very low | 23.4 | Very low | 193 Ų | 193 | 121.9 Ų | 121.9 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | trans | 67.7 | 157.5 | 154.1 | -72.6 | 159.5 | 174 | 173.7 | -3.1 | 110.6 | ||||
| 243 | I | 25.2 | Very low | 23.6 | Very low | 142 Ų | 142 | 123.9 Ų | 123.9 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | cis | -149 | 120.7 | 48.1 | -71.9 | 146.2 | 0 | 0 | 0 | 105.6 | ||||
| 244 | K | 23.8 | Very low | 23.7 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | 65.3 | 105.7 | 68.2 | -158.9 | -175.7 | -156.6 | -92.1 | 0 | 113.5 | D246 | K244-D246 VanDerWaalsContact CE-OD2 3.24Å; K244-D246 WeakPolarHBondContact CE-OD2 3.4Å; K244-D246 IonicContact NZ-OD2 3.49Å; K244-D246 PolarHBondContact NZ-OD2 2.77Å | |||
| 245 | L | 24.7 | Very low | 24 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 93% | 0.932 | 70% | 0.697 | S | S | * | * | trans | -142.7 | 100 | 156.8 | -112.5 | 160.2 | 0 | 0 | 0 | 108.5 | ||||
| 246 | D | 22.4 | Very low | 24.1 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | trans | -84.5 | -173.8 | 174.5 | -62.8 | -61.1 | 0 | 0 | 0 | 110.8 | K244 | K244-D246 VanDerWaalsContact CE-OD2 3.24Å; K244-D246 WeakPolarHBondContact CE-OD2 3.4Å; K244-D246 IonicContact NZ-OD2 3.49Å; K244-D246 PolarHBondContact NZ-OD2 2.77Å | ||
| 247 | S | 25.8 | Very low | 24.2 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | 86.6 | 107.4 | 168 | 73.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 248 | S | 21.9 | Very low | 24.3 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | cis | 81.2 | 102.8 | 45.5 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 249 | S | 22.4 | Very low | 24.2 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | 172.7 | 137.7 | 125.8 | 37.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 250 | D | 23.2 | Very low | 24.4 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 42.8 | 116.1 | 141.4 | -46.3 | -24.4 | 0 | 0 | 0 | 120.1 | ||||
| 251 | V | 25.8 | Very low | 24.5 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | -178.3 | 132.7 | 95.6 | 154.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 252 | T | 22.6 | Very low | 24.8 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -72.4 | 149.8 | 174.7 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 253 | I | 24.8 | Very low | 24.9 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | 177.1 | 114.9 | 135.4 | -87.7 | 148.6 | 0 | 0 | 0 | 109 | ||||
| 254 | D | 23.6 | Very low | 25.1 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | 18.9 | 100.6 | 157.2 | -53.9 | -17.8 | 0 | 0 | 0 | 119.3 | ||||
| 255 | K | 28.5 | Very low | 25.4 | Very low | 208 Ų | 208 | 127 Ų | 127 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -116.1 | 96.7 | 165.9 | -76.6 | -178 | 177.9 | 175.7 | 0 | 111.4 | G257 | K255-G257 PolarHBondContact O-N 3.09Š| ||
| 256 | S | 25.9 | Very low | 25.6 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 119.9 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 257 | G | 25.8 | Very low | 25.9 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 68.3 | 74.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | K255 | K255-G257 PolarHBondContact O-N 3.09Š| ||
| 258 | L | 24.5 | Very low | 26.2 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 88% | 0.88 | 75% | 0.751 | S | S | * | * | trans | -150.1 | 134.6 | 152.1 | -99.8 | 130.9 | 0 | 0 | 0 | 109.8 | V260 | L258-V260 PolarHBondContact O-N 2.76Š| ||
| 259 | N | 23.4 | Very low | 26.6 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -63.5 | 121 | -173.4 | -89.6 | -23 | 0 | 0 | 0 | 112.3 | ||||
| 260 | V | 26.3 | Very low | 27.3 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -126 | 65.4 | 166.6 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | L258 A262 | L258-V260 PolarHBondContact O-N 2.76Å; V260-A262 HydrophobicContact CG1-CB 3.68Å; V260-A262 PolarHBondContact O-N 2.84Å; V260-A262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | Q | 27.5 | Very low | 28.5 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | trans | -79.1 | 71.1 | 155.7 | -77.1 | -179.1 | -37.5 | 0 | 0 | 108.1 | ||||
| 262 | A | 28.1 | Very low | 30 | Very low | 60 Ų | 60 | 122.3 Ų | 122.3 | 50% | 0.496 | 71% | 0.71 | S | S | . | * | trans | -90.7 | 152.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V260 | V260-A262 HydrophobicContact CG1-CB 3.68Å; V260-A262 PolarHBondContact O-N 2.84Å; V260-A262 VanDerWaalsContact O-N 3.09Å | ||
| 263 | T | 26.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -146.8 | 11 | 2.6 | -6.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 264 | A | 28.9 | Very low | 34.8 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -94.5 | -26.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V266 | A264-V266 PolarHBondContact O-N 2.7Š|
| 265 | S | 31.2 | Very low | 37.4 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 57% | 0.573 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 8.2 | 175.3 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 266 | V | 27.8 | Very low | 40.1 | Very low | 85 Ų | 85 | 99.9 Ų | 99.9 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -14.9 | -175.5 | -179.5 | 0 | 0 | 0 | 0 | 112.8 | A264 N268 | A264-V266 PolarHBondContact O-N 2.7Å; V266-N268 VanDerWaalsContact C-N 3.32Å |
| 267 | L | 28.4 | Very low | 42.9 | Very low | 156 Ų | 156 | 95.7 Ų | 95.7 | 82% | 0.817 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -2.7 | 173.4 | -79.7 | 162.1 | 0 | 0 | 0 | 114 | ||
| 268 | N | 32.7 | Very low | 45.6 | Very low | 150 Ų | 150 | 98.2 Ų | 98.2 | 80% | 0.802 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 16.8 | 177.8 | -80.4 | -16.1 | 0 | 0 | 0 | 113.9 | V266 | V266-N268 VanDerWaalsContact C-N 3.32Š|
| 269 | Q | 30.9 | Very low | 48.5 | Very low | 147 Ų | 147 | 90.6 Ų | 90.6 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -72.8 | 140.8 | 156.1 | -70.7 | -173.3 | -11.4 | 0 | 0 | 108 | L271 | Q269-L271 PolarHBondContact O-N 3.32Š|
| 270 | P | 36.7 | Very low | 51.5 | Low | 100 Ų | 100 | 83.2 Ų | 83.2 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | trans | -57.8 | 121.1 | 172.8 | 26.4 | -33 | 0 | 0 | 0 | 106.8 | G272 I319 | P270-G272 PolarHBondContact O-N 3.3Å; P270-I319 HydrophobicContact CB-CD1 3.96Å; P270-I319 HydrophobicContact CG-CD1 4.32Å | ||
| 271 | L | 48.2 | Very low | 54.3 | Low | 129 Ų | 129 | 78.2 Ų | 78.2 | 68% | 0.675 | 44% | 0.442 | S | S | * | . | trans | -46.3 | 110.7 | 174.7 | -85.1 | 154.8 | 0 | 0 | 0 | 106.7 | Q269 H273 | Q269-L271 PolarHBondContact O-N 3.32Å; L271-H273 PolarHBondContact O-N 3.02Å | ||
| 272 | G | 57.2 | Low | 57.1 | Low | 21 Ų | 21 | 72.3 Ų | 72.3 | 22% | 0.216 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -69.9 | 16.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P270 Y318 I319 | P270-G272 PolarHBondContact O-N 3.3Å; G272-Y318 CarbonylContact O-C 2.98Å; G272-Y318 WeakPolarHBondContact O-CA 3.28Å; G272-Y318 VanDerWaalsContact O-CB 3.27Å; G272-Y318 WeakPolarHBondContact O-CB 3.34Å; G272-Y318 VanDerWaalsContact O-CD1 3.29Å; G272-Y318 WeakPolarHBondContact O-CD1 3.5Å; G272-I319 PolarHBondContact O-N 3.44Å |
| 273 | H | 71.2 | Confident | 60 | Low | 91 Ų | 91 | 69.5 Ų | 69.5 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -136.4 | 154.3 | -161.4 | -45.2 | 42.4 | 0 | 0 | 0 | 106.7 | W75 L271 Y318 | W75-H273 WeakPolarHBondContact CZ2-O 3.38Å; L271-H273 PolarHBondContact O-N 3.02Å; H273-Y318 HydrophobicContact CB-CD1 4.39Å; H273-Y318 HydrophobicContact CB-CE1 4.28Å; H273-Y318 AromaticContact CD2-CE1 3.9Å; H273-Y318 AromaticContact CG-CE1 3.93Å |
| 274 | W | 78.4 | Confident | 62.9 | Low | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | trans | -59.2 | 126.6 | 174.6 | 179.8 | 59.8 | 0 | 0 | 0 | 112.2 | W75 L276 D277 C280 L306 H311 A315 Y333 | W75-W274 AromaticContact CE3-CD1 3.95Å; W75-W274 HydrophobicContact CH2-CB 4.44Å; W75-W274 HydrophobicContact CZ3-CB 4.2Å; W274-L276 HydrophobicContact CD2-CB 4.02Å; W274-L276 HydrophobicContact CE3-CB 4.02Å; W274-L276 HydrophobicContact CH2-CB 3.7Å; W274-L276 HydrophobicContact CH2-CD1 4.29Å; W274-L276 HydrophobicContact CZ2-CB 3.71Å; W274-L276 HydrophobicContact CZ2-CD1 3.73Å; W274-L276 HydrophobicContact CZ2-CG 4.15Å; W274-L276 HydrophobicContact CZ3-CB 3.86Å; W274-L276 PolarHBondContact O-N 3.41Å; W274-D277 HydrophobicContact CE3-CB 4.2Å; W274-D277 VanDerWaalsContact O-CB 3.28Å; W274-D277 WeakPolarHBondContact O-CB 3.28Å; W274-D277 PolarHBondContact O-N 3.1Å; W274-C280 HydrophobicContact CZ3-CB 4.11Å; W274-L306 HydrophobicContact CH2-CD2 3.74Å; W274-L306 HydrophobicContact CZ3-CD2 4.49Å; W274-H311 HydrophobicContact CZ2-CB 4.26Å; W274-H311 PolarHBondContact NE1-O 3.33Å; W274-A315 HydrophobicContact CD2-CB 3.93Å; W274-A315 HydrophobicContact CE3-CB 3.77Å; W274-A315 HydrophobicContact CH2-CB 3.84Å; W274-A315 HydrophobicContact CZ2-CB 3.97Å; W274-A315 HydrophobicContact CZ3-CB 3.73Å; W274-Y333 HydrophobicContact CZ3-CE1 4.36Å | ||
| 275 | P | 77 | Confident | 65.4 | Low | 60 Ų | 60 | 60.7 Ų | 60.7 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.8 | -171.3 | -29.8 | 35.6 | 0 | 0 | 0 | 116 | W75 | W75-P275 HydrophobicContact CD2-CG 4.4Å; W75-P275 HydrophobicContact CG-CG 4.04Å |
| 276 | L | 85.6 | Confident | 68 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.2 | -177.4 | -55.9 | 178.6 | 0 | 0 | 0 | 113.5 | I39 F43 V69 L72 W274 R278 M279 C280 L305 H311 | I39-L276 HydrophobicContact CD1-CD2 4.18Å; F43-L276 HydrophobicContact CE2-CD2 3.53Å; F43-L276 HydrophobicContact CZ-CD2 3.89Å; V69-L276 HydrophobicContact CG2-CD1 4.4Å; L72-L276 HydrophobicContact CD1-CD2 4.1Å; W274-L276 HydrophobicContact CD2-CB 4.02Å; W274-L276 HydrophobicContact CE3-CB 4.02Å; W274-L276 HydrophobicContact CH2-CB 3.7Å; W274-L276 HydrophobicContact CH2-CD1 4.29Å; W274-L276 HydrophobicContact CZ2-CB 3.71Å; W274-L276 HydrophobicContact CZ2-CD1 3.73Å; W274-L276 HydrophobicContact CZ2-CG 4.15Å; W274-L276 HydrophobicContact CZ3-CB 3.86Å; W274-L276 PolarHBondContact O-N 3.41Å; L276-R278 VanDerWaalsContact C-N 3.31Å; L276-R278 PolarHBondContact O-N 2.92Å; L276-M279 PolarHBondContact O-N 3.08Å; L276-C280 WeakPolarHBondContact O-CB 3.22Å; L276-C280 PolarHBondContact O-N 2.76Å; L276-L305 HydrophobicContact CB-CD1 4.4Å; L276-L305 HydrophobicContact CD1-CD1 4.08Å; L276-L305 HydrophobicContact CD2-CD1 4.42Å; L276-H311 HydrophobicContact CD1-CB 4.2Å |
| 277 | D | 84.5 | Confident | 70.8 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -36.8 | -175.1 | -179.5 | 50.8 | 0 | 0 | 0 | 113.3 | R163 W274 C280 T281 Y333 | R163-D277 IonicContact NH2-OD1 3.73Å; W274-D277 HydrophobicContact CE3-CB 4.2Å; W274-D277 VanDerWaalsContact O-CB 3.28Å; W274-D277 WeakPolarHBondContact O-CB 3.28Å; W274-D277 PolarHBondContact O-N 3.1Å; D277-C280 PolarHBondContact O-N 3.3Å; D277-T281 VanDerWaalsContact O-CB 3.27Å; D277-T281 WeakPolarHBondContact O-CB 3.49Å; D277-T281 PolarHBondContact O-N 3.46Å; D277-T281 PolarHBondContact O-OG1 2.94Å; D277-T281 PolarHBondContact OD1-OG1 3.13Å; D277-Y333 WeakPolarHBondContact OD1-CE2 3.4Å; D277-Y333 VanDerWaalsContact OD1-CZ 3.3Å; D277-Y333 PolarHBondContact OD1-OH 2.97Å |
| 278 | R | 81.7 | Confident | 73.2 | Confident | 124 Ų | 124 | 47.4 Ų | 47.4 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.6 | -173.5 | -178.1 | -174.6 | -177.5 | 4.5 | 112.1 | D40 L276 T282 | D40-R278 IonicContact OD2-CZ 3.62Å; D40-R278 IonicContact OD2-NH1 2.7Å; D40-R278 PolarHBondContact OD2-NH1 3.3Å; L276-R278 VanDerWaalsContact C-N 3.31Å; L276-R278 PolarHBondContact O-N 2.92Å; R278-T282 WeakPolarHBondContact O-CB 3.4Å; R278-T282 PolarHBondContact O-N 3.15Å; R278-T282 PolarHBondContact O-OG1 3.35Å |
| 279 | M | 86.1 | Confident | 75.3 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.044 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 177.6 | -174 | 57.4 | 158.7 | 0 | 0 | 110.2 | F43 I47 I65 L276 T282 L283 L305 | F43-M279 HydrophobicContact CB-CE 3.84Å; F43-M279 HydrophobicContact CB-CG 4.37Å; F43-M279 HydrophobicContact CB-SD 3.84Å; F43-M279 HydrophobicContact CD1-CE 3.69Å; F43-M279 HydrophobicContact CD1-CG 4.28Å; F43-M279 HydrophobicContact CD1-SD 4.43Å; F43-M279 HydrophobicContact CD2-CB 4.06Å; F43-M279 HydrophobicContact CD2-CG 4.08Å; F43-M279 HydrophobicContact CE1-CE 4.46Å; F43-M279 HydrophobicContact CE2-CB 4.35Å; F43-M279 HydrophobicContact CE2-CG 4.39Å; F43-M279 HydrophobicContact CG-CB 4.44Å; F43-M279 HydrophobicContact CG-CE 3.91Å; F43-M279 HydrophobicContact CG-CG 4.02Å; F43-M279 HydrophobicContact CG-SD 4.09Å; I47-M279 HydrophobicContact CD1-SD 3.84Å; I47-M279 HydrophobicContact CG1-CE 3.92Å; I47-M279 HydrophobicContact CG1-SD 3.86Å; I65-M279 HydrophobicContact CD1-CE 3.84Å; L276-M279 PolarHBondContact O-N 3.08Å; M279-T282 PolarHBondContact O-N 3.39Å; M279-L283 HydrophobicContact CE-CD1 4.33Å; M279-L283 HydrophobicContact CG-CD1 4.29Å; M279-L283 WeakPolarHBondContact O-CG 3.4Å; M279-L283 PolarHBondContact O-N 2.69Å; M279-L283 HydrophobicContact SD-CD1 4.39Å; M279-L283 HydrophobicContact SD-CG 4.38Å; M279-L305 HydrophobicContact CG-CD1 4.43Å; M279-L305 HydrophobicContact CG-CD2 4.32Å |
| 280 | C | 87.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.9 | -54.7 | 175.1 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | W274 L276 D277 T282 L283 L284 L305 Y333 | W274-C280 HydrophobicContact CZ3-CB 4.11Å; L276-C280 WeakPolarHBondContact O-CB 3.22Å; L276-C280 PolarHBondContact O-N 2.76Å; D277-C280 PolarHBondContact O-N 3.3Å; C280-T282 VanDerWaalsContact C-N 3.32Å; C280-T282 PolarHBondContact O-N 3.32Å; C280-L283 PolarHBondContact O-N 3.03Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.38Å; C280-L284 PolarHBondContact O-N 2.72Å; C280-L305 HydrophobicContact CB-CD2 3.94Å; C280-Y333 PolarHBondContact SG-OH 3.44Å |
| 281 | T | 84.2 | Confident | 79.5 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -36.5 | -179.5 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | I166 D277 L284 G285 | I166-T281 HydrophobicContact CD1-CG2 4.46Å; D277-T281 VanDerWaalsContact O-CB 3.27Å; D277-T281 WeakPolarHBondContact O-CB 3.49Å; D277-T281 PolarHBondContact O-N 3.46Å; D277-T281 PolarHBondContact O-OG1 2.94Å; D277-T281 PolarHBondContact OD1-OG1 3.13Å; T281-L284 PolarHBondContact O-N 3.19Å; T281-G285 PolarHBondContact O-N 2.56Å; T281-G285 VanDerWaalsContact O-N 3.13Å |
| 282 | T | 85.9 | Confident | 81.3 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65 | -46.5 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | I47 R278 M279 C280 L284 G285 D286 | I47-T282 HydrophobicContact CD1-CG2 4.04Å; R278-T282 WeakPolarHBondContact O-CB 3.4Å; R278-T282 PolarHBondContact O-N 3.15Å; R278-T282 PolarHBondContact O-OG1 3.35Å; M279-T282 PolarHBondContact O-N 3.39Å; C280-T282 VanDerWaalsContact C-N 3.32Å; C280-T282 PolarHBondContact O-N 3.32Å; T282-L284 VanDerWaalsContact C-N 3.35Å; T282-G285 PolarHBondContact O-N 3.2Å; T282-D286 PolarHBondContact O-N 3.3Å; T282-D286 VanDerWaalsContact O-N 3.08Å |
| 283 | L | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.4 | -31.8 | 178 | -60.8 | 176.1 | 0 | 0 | 0 | 112.2 | L50 M279 C280 G285 D286 L287 A298 L302 | L50-L283 HydrophobicContact CD1-CD1 4.37Å; L50-L283 HydrophobicContact CD1-CD2 3.63Å; M279-L283 HydrophobicContact CE-CD1 4.33Å; M279-L283 HydrophobicContact CG-CD1 4.29Å; M279-L283 WeakPolarHBondContact O-CG 3.4Å; M279-L283 PolarHBondContact O-N 2.69Å; M279-L283 HydrophobicContact SD-CD1 4.39Å; M279-L283 HydrophobicContact SD-CG 4.38Å; C280-L283 PolarHBondContact O-N 3.03Å; L283-G285 VanDerWaalsContact C-N 3.27Å; L283-G285 PolarHBondContact O-N 2.72Å; L283-D286 PolarHBondContact O-N 2.81Å; L283-D286 VanDerWaalsContact O-N 3.15Å; L283-L287 PolarHBondContact O-N 2.64Å; L283-A298 WeakPolarHBondContact O-CB 3.34Å; L283-L302 HydrophobicContact CB-CD1 4.06Å; L283-L302 HydrophobicContact CB-CD2 3.87Å; L283-L302 HydrophobicContact CB-CG 3.65Å; L283-L302 HydrophobicContact CD1-CD2 4.37Å; L283-L302 HydrophobicContact CD1-CG 4.21Å |
| 284 | L | 86.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -32.7 | 171.7 | -70.6 | 169.9 | 0 | 0 | 0 | 112.4 | C280 T281 T282 L287 L302 I337 | C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.38Å; C280-L284 PolarHBondContact O-N 2.72Å; T281-L284 PolarHBondContact O-N 3.19Å; T282-L284 VanDerWaalsContact C-N 3.35Å; L284-L287 HydrophobicContact CD2-CD1 4.1Å; L284-L302 HydrophobicContact CD2-CD1 3.85Å; L284-L302 HydrophobicContact CD2-CD2 4.43Å; L284-L302 HydrophobicContact CG-CD1 4.31Å; L284-L302 HydrophobicContact CG-CD2 4.34Å; L284-I337 HydrophobicContact CD1-CD1 4.4Å; L284-I337 HydrophobicContact CD1-CG1 3.85Å; L284-I337 HydrophobicContact CD2-CB 4.48Å; L284-I337 HydrophobicContact CD2-CG1 4.14Å; L284-I337 HydrophobicContact CD2-CG2 4.15Å |
| 285 | G | 81.2 | Confident | 84.1 | Confident | 13 Ų | 13 | 31 Ų | 31 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.3 | -40.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T281 T282 L283 L287 W288 | T281-G285 PolarHBondContact O-N 2.56Å; T281-G285 VanDerWaalsContact O-N 3.13Å; T282-G285 PolarHBondContact O-N 3.2Å; L283-G285 VanDerWaalsContact C-N 3.27Å; L283-G285 PolarHBondContact O-N 2.72Å; G285-L287 VanDerWaalsContact C-N 3.3Å; G285-L287 PolarHBondContact O-N 3.07Å; G285-W288 PolarHBondContact O-N 3.17Å; G285-W288 VanDerWaalsContact O-N 3.14Å |
| 286 | D | 86.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 28.3 Ų | 28.3 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.6 | -21 | -179.7 | -78.8 | -0.7 | 0 | 0 | 0 | 114.2 | R51 T282 L283 W288 A289 T294 A298 | R51-D286 IonicContact CZ-OD1 2.71Å; R51-D286 IonicContact CZ-OD2 2.76Å; R51-D286 IonicContact NE-OD1 3.27Å; R51-D286 IonicContact NE-OD2 3.54Å; R51-D286 PolarHBondContact NE-OD2 2.92Å; R51-D286 IonicContact NH2-OD1 3.79Å; R51-D286 PolarHBondContact NH2-OD1 3.1Å; R51-D286 IonicContact NH2-OD2 2.71Å; R51-D286 PolarHBondContact NH2-OD2 2.79Å; T282-D286 PolarHBondContact O-N 3.3Å; T282-D286 VanDerWaalsContact O-N 3.08Å; L283-D286 PolarHBondContact O-N 2.81Å; L283-D286 VanDerWaalsContact O-N 3.15Å; D286-W288 PolarHBondContact O-N 3.3Å; D286-W288 VanDerWaalsContact O-N 3.08Å; D286-A289 WeakPolarHBondContact O-CB 3.27Å; D286-A289 PolarHBondContact O-N 2.81Å; D286-A289 VanDerWaalsContact O-N 3.13Å; D286-T294 HydrophobicContact CB-CG2 3.74Å; D286-A298 HydrophobicContact CB-CB 3.61Å |
| 287 | L | 85.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -22.4 | 168.5 | -75.3 | 177.8 | 0 | 0 | 0 | 112.8 | L283 L284 G285 R295 A298 A299 L302 V341 | L283-L287 PolarHBondContact O-N 2.64Å; L284-L287 HydrophobicContact CD2-CD1 4.1Å; G285-L287 VanDerWaalsContact C-N 3.3Å; G285-L287 PolarHBondContact O-N 3.07Å; L287-R295 WeakPolarHBondContact O-CD 3.3Å; L287-R295 WeakPolarHBondContact O-CG 3.38Å; L287-A298 HydrophobicContact CD2-CB 4.09Å; L287-A298 HydrophobicContact CG-CB 4.28Å; L287-A299 HydrophobicContact CD2-CB 3.81Å; L287-L302 HydrophobicContact CD1-CD1 3.73Å; L287-L302 HydrophobicContact CD2-CD1 4.31Å; L287-L302 HydrophobicContact CG-CD1 3.94Å; L287-V341 HydrophobicContact CD1-CG2 4.35Å |
| 288 | W | 78.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 26.5 Ų | 26.5 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 14.4 | -176 | -62.7 | 75.9 | 0 | 0 | 0 | 112.6 | L113 L170 G285 D286 C343 L347 | L113-W288 HydrophobicContact CD1-CE3 4.29Å; L170-W288 HydrophobicContact CD2-CD2 4.4Å; L170-W288 HydrophobicContact CD2-CE3 4.2Å; L170-W288 HydrophobicContact CD2-CH2 3.23Å; L170-W288 HydrophobicContact CD2-CZ2 3.46Å; L170-W288 VanDerWaalsContact CD2-CZ2 3.46Å; L170-W288 HydrophobicContact CD2-CZ3 3.62Å; L170-W288 HydrophobicContact CG-CH2 4.45Å; G285-W288 PolarHBondContact O-N 3.17Å; G285-W288 VanDerWaalsContact O-N 3.14Å; D286-W288 PolarHBondContact O-N 3.3Å; D286-W288 VanDerWaalsContact O-N 3.08Å; W288-C343 HydrophobicContact CH2-CB 3.6Å; W288-C343 HydrophobicContact CZ2-CB 3.65Å; W288-L347 HydrophobicContact CH2-CD1 3.73Å; W288-L347 HydrophobicContact CZ3-CD1 3.62Å |
| 289 | A | 76.7 | Confident | 86 | Confident | 25 Ų | 25 | 20.6 Ų | 20.6 | 21% | 0.207 | 11% | 0.106 | C | C | . | . | trans | -71 | 143.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D286 R291 T294 R295 | D286-A289 WeakPolarHBondContact O-CB 3.27Å; D286-A289 PolarHBondContact O-N 2.81Å; D286-A289 VanDerWaalsContact O-N 3.13Å; A289-R291 VanDerWaalsContact C-N 3.25Å; A289-R291 PolarHBondContact O-N 3.42Å; A289-T294 HydrophobicContact CB-CG2 3.47Å; A289-T294 VanDerWaalsContact CB-CG2 3.47Å; A289-R295 HydrophobicContact CB-CG 4.49Å; A289-R295 VanDerWaalsContact O-CD 3.27Å; A289-R295 WeakPolarHBondContact O-CD 2.88Å; A289-R295 WeakPolarHBondContact O-CG 2.9Å; A289-R295 PolarHBondContact O-NH1 3.45Å | ||
| 290 | L | 75.3 | Confident | 86.3 | Confident | 105 Ų | 105 | 20.2 Ų | 20.2 | 55% | 0.55 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -60.7 | -33.4 | 175.5 | -69.5 | 168.5 | 0 | 0 | 0 | 112.8 | W292 R295 | L290-W292 PolarHBondContact O-N 2.99Å; L290-R295 PolarHBondContact O-NH1 2.79Å |
| 291 | R | 80.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 20.2 Ų | 20.2 | 37% | 0.374 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -77 | 120 | 175 | -67.9 | -174.5 | -175.4 | 176.5 | 2.2 | 110.6 | V118 A289 E293 T294 R295 | V118-R291 HydrophobicContact CG2-CG 4.16Å; V118-R291 VanDerWaalsContact CG2-NE 3.34Å; A289-R291 VanDerWaalsContact C-N 3.25Å; A289-R291 PolarHBondContact O-N 3.42Å; R291-E293 VanDerWaalsContact C-N 3.26Å; R291-E293 PolarHBondContact O-N 3.39Å; R291-T294 WeakPolarHBondContact O-CB 3.05Å; R291-T294 PolarHBondContact O-N 3.34Å; R291-T294 VanDerWaalsContact O-N 3.15Å; R291-R295 PolarHBondContact O-N 2.92Å |
| 292 | W | 85.8 | Confident | 86.9 | Confident | 40 Ų | 40 | 19.3 Ų | 19.3 | 15% | 0.152 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -29.4 | -179.5 | 81.1 | -89.4 | 0 | 0 | 0 | 112.7 | W55 R58 L290 T294 R295 H296 L350 P361 V362 | W55-W292 HydrophobicContact CE3-CH2 4.36Å; W55-W292 HydrophobicContact CZ3-CH2 4.44Å; W55-W292 HydrophobicContact CZ3-CZ3 4.33Å; R58-W292 VanDerWaalsContact NH2-CH2 3.33Å; L290-W292 PolarHBondContact O-N 2.99Å; W292-T294 PolarHBondContact O-N 3.24Å; W292-R295 PolarHBondContact O-N 3.28Å; W292-H296 HydrophobicContact CE3-CB 4.11Å; W292-H296 HydrophobicContact CZ3-CB 4.16Å; W292-H296 WeakPolarHBondContact O-CB 3.13Å; W292-H296 PolarHBondContact O-N 3.46Å; W292-L350 HydrophobicContact CB-CD1 4.03Å; W292-L350 HydrophobicContact CB-CD2 3.88Å; W292-L350 HydrophobicContact CB-CG 4.45Å; W292-L350 HydrophobicContact CD2-CD1 4.29Å; W292-L350 HydrophobicContact CD2-CD2 3.75Å; W292-L350 HydrophobicContact CE3-CD2 3.55Å; W292-L350 HydrophobicContact CG-CD1 3.89Å; W292-L350 HydrophobicContact CG-CD2 3.92Å; W292-L350 HydrophobicContact CZ3-CD2 4.3Å; W292-P361 HydrophobicContact CE3-CG 4.22Å; W292-P361 HydrophobicContact CH2-CG 4.38Å; W292-P361 HydrophobicContact CZ3-CB 4.21Å; W292-P361 HydrophobicContact CZ3-CG 3.73Å; W292-V362 HydrophobicContact CB-CG2 4.33Å; W292-V362 HydrophobicContact CE3-CG2 4.18Å |
| 293 | E | 88.2 | Confident | 87.3 | Confident | 21 Ų | 21 | 19.5 Ų | 19.5 | 10% | 0.098 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.6 | -57.2 | 96.5 | 140.7 | 0 | 0 | 110.7 | K53 R58 R291 G297 | K53-E293 IonicContact NZ-OE1 3.59Å; R58-E293 WeakPolarHBondContact CD-O 2.98Å; R291-E293 VanDerWaalsContact C-N 3.26Å; R291-E293 PolarHBondContact O-N 3.39Å; E293-G297 PolarHBondContact O-N 2.76Å |
| 294 | T | 87.9 | Confident | 87.4 | Confident | 11 Ų | 11 | 19.8 Ų | 19.8 | 7% | 0.067 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 173.4 | -59 | 0 | 0 | 0 | 0 | 111.3 | R51 D286 A289 R291 W292 H296 G297 A298 | R51-T294 HydrophobicContact CG-CG2 3.88Å; D286-T294 HydrophobicContact CB-CG2 3.74Å; A289-T294 HydrophobicContact CB-CG2 3.47Å; A289-T294 VanDerWaalsContact CB-CG2 3.47Å; R291-T294 WeakPolarHBondContact O-CB 3.05Å; R291-T294 PolarHBondContact O-N 3.34Å; R291-T294 VanDerWaalsContact O-N 3.15Å; W292-T294 PolarHBondContact O-N 3.24Å; T294-H296 PolarHBondContact O-N 2.82Å; T294-G297 PolarHBondContact O-N 3.42Å; T294-A298 VanDerWaalsContact O-CB 3.26Å; T294-A298 WeakPolarHBondContact O-CB 3.41Å; T294-A298 PolarHBondContact O-N 3.44Å |
| 295 | R | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.3 | -58.5 | -162.5 | -64.6 | -83.1 | 8.7 | 112.4 | L113 Y114 L287 A289 L290 R291 W292 A298 A299 D348 V362 | L113-R295 PolarHBondContact O-NH2 2.91Å; Y114-R295 PolarHBondContact O-NH1 3.16Å; Y114-R295 PolarHBondContact O-NH2 2.9Å; L287-R295 WeakPolarHBondContact O-CD 3.3Å; L287-R295 WeakPolarHBondContact O-CG 3.38Å; A289-R295 HydrophobicContact CB-CG 4.49Å; A289-R295 VanDerWaalsContact O-CD 3.27Å; A289-R295 WeakPolarHBondContact O-CD 2.88Å; A289-R295 WeakPolarHBondContact O-CG 2.9Å; A289-R295 PolarHBondContact O-NH1 3.45Å; L290-R295 PolarHBondContact O-NH1 2.79Å; R291-R295 PolarHBondContact O-N 2.92Å; W292-R295 PolarHBondContact O-N 3.28Å; R295-A298 PolarHBondContact O-N 2.85Å; R295-A299 WeakPolarHBondContact O-CB 3.39Å; R295-A299 PolarHBondContact O-N 3.22Å; R295-D348 IonicContact CZ-OD1 3.32Å; R295-D348 IonicContact NE-OD1 2.94Å; R295-D348 PolarHBondContact NE-OD1 3.21Å; R295-D348 IonicContact NH2-OD1 3.8Å; R295-D348 PolarHBondContact NH2-OD1 3.29Å; R295-V362 HydrophobicContact CB-CG1 3.82Å; R295-V362 HydrophobicContact CB-CG2 3.98Å |
| 296 | H | 92 | Very high | 88 | Confident | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.014 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.4 | 173.3 | -77.2 | 0 | 0 | 0 | 111.6 | W55 R58 W292 T294 S300 V362 | W55-H296 AromaticContact CH2-CD2 3.83Å; W55-H296 AromaticContact CH2-NE2 3.19Å; W55-H296 WeakPolarHBondContact CH2-NE2 3.39Å; W55-H296 AromaticContact CZ2-NE2 3.73Å; W55-H296 AromaticContact CZ3-CD2 3.7Å; W55-H296 AromaticContact CZ3-NE2 3.39Å; W55-H296 WeakPolarHBondContact CZ3-NE2 3.21Å; R58-H296 PolarHBondContact NE-ND1 3.17Å; W292-H296 HydrophobicContact CE3-CB 4.11Å; W292-H296 HydrophobicContact CZ3-CB 4.16Å; W292-H296 WeakPolarHBondContact O-CB 3.13Å; W292-H296 PolarHBondContact O-N 3.46Å; T294-H296 PolarHBondContact O-N 2.82Å; H296-S300 PolarHBondContact CE1-OG 3.27Å; H296-S300 VanDerWaalsContact O-CB 3.28Å; H296-S300 WeakPolarHBondContact O-CB 3.04Å; H296-S300 PolarHBondContact O-N 2.94Å; H296-S300 PolarHBondContact O-OG 3.4Å; H296-V362 HydrophobicContact CB-CG2 4.18Å |
| 297 | G | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L50 E293 T294 S300 G301 | L50-G297 WeakPolarHBondContact O-CA 3.39Å; E293-G297 PolarHBondContact O-N 2.76Å; T294-G297 PolarHBondContact O-N 3.42Å; G297-S300 PolarHBondContact O-N 3.11Å; G297-G301 PolarHBondContact O-N 3.07Å |
| 298 | A | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L283 D286 L287 T294 R295 S300 G301 L302 | L283-A298 WeakPolarHBondContact O-CB 3.34Å; D286-A298 HydrophobicContact CB-CB 3.61Å; L287-A298 HydrophobicContact CD2-CB 4.09Å; L287-A298 HydrophobicContact CG-CB 4.28Å; T294-A298 VanDerWaalsContact O-CB 3.26Å; T294-A298 WeakPolarHBondContact O-CB 3.41Å; T294-A298 PolarHBondContact O-N 3.44Å; R295-A298 PolarHBondContact O-N 2.85Å; A298-S300 VanDerWaalsContact C-N 3.33Å; A298-S300 PolarHBondContact O-N 3.03Å; A298-G301 PolarHBondContact O-N 3.5Å; A298-L302 WeakPolarHBondContact O-CB 3.22Å; A298-L302 WeakPolarHBondContact O-CG 3.27Å; A298-L302 PolarHBondContact O-N 3.44Å |
| 299 | A | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L287 R295 R303 T365 | L287-A299 HydrophobicContact CD2-CB 3.81Å; R295-A299 WeakPolarHBondContact O-CB 3.39Å; R295-A299 PolarHBondContact O-N 3.22Å; A299-R303 VanDerWaalsContact O-CB 3.31Å; A299-R303 WeakPolarHBondContact O-CB 3.37Å; A299-R303 PolarHBondContact O-N 1.9Å; A299-T365 HydrophobicContact CB-CG2 3.59Å |
| 300 | S | 92.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | 174.6 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | H296 G297 A298 R303 E304 | H296-S300 PolarHBondContact CE1-OG 3.27Å; H296-S300 VanDerWaalsContact O-CB 3.28Å; H296-S300 WeakPolarHBondContact O-CB 3.04Å; H296-S300 PolarHBondContact O-N 2.94Å; H296-S300 PolarHBondContact O-OG 3.4Å; G297-S300 PolarHBondContact O-N 3.11Å; A298-S300 VanDerWaalsContact C-N 3.33Å; A298-S300 PolarHBondContact O-N 3.03Å; S300-R303 WeakPolarHBondContact O-CB 3.42Å; S300-R303 PolarHBondContact O-N 3.26Å; S300-E304 WeakPolarHBondContact O-CG 3.17Å; S300-E304 PolarHBondContact O-N 3.36Å; S300-E304 VanDerWaalsContact O-N 3.1Å |
| 301 | G | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G297 A298 E304 L305 | G297-G301 PolarHBondContact O-N 3.07Å; A298-G301 PolarHBondContact O-N 3.5Å; G301-E304 PolarHBondContact O-N 3.18Å; G301-L305 WeakPolarHBondContact O-CB 3.28Å; G301-L305 PolarHBondContact O-N 2.96Å |
| 302 | L | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 174.5 | -75.2 | 167.8 | 0 | 0 | 0 | 112.4 | L283 L284 L287 A298 E304 L305 L306 L369 | L283-L302 HydrophobicContact CB-CD1 4.06Å; L283-L302 HydrophobicContact CB-CD2 3.87Å; L283-L302 HydrophobicContact CB-CG 3.65Å; L283-L302 HydrophobicContact CD1-CD2 4.37Å; L283-L302 HydrophobicContact CD1-CG 4.21Å; L284-L302 HydrophobicContact CD2-CD1 3.85Å; L284-L302 HydrophobicContact CD2-CD2 4.43Å; L284-L302 HydrophobicContact CG-CD1 4.31Å; L284-L302 HydrophobicContact CG-CD2 4.34Å; L287-L302 HydrophobicContact CD1-CD1 3.73Å; L287-L302 HydrophobicContact CD2-CD1 4.31Å; L287-L302 HydrophobicContact CG-CD1 3.94Å; A298-L302 WeakPolarHBondContact O-CB 3.22Å; A298-L302 WeakPolarHBondContact O-CG 3.27Å; A298-L302 PolarHBondContact O-N 3.44Å; L302-E304 VanDerWaalsContact C-N 3.31Å; L302-E304 PolarHBondContact O-N 3.12Å; L302-L305 PolarHBondContact O-N 3.3Å; L302-L306 HydrophobicContact CD2-CD1 4.47Å; L302-L306 WeakPolarHBondContact O-CB 3.21Å; L302-L306 WeakPolarHBondContact O-CG 3.32Å; L302-L306 PolarHBondContact O-N 3.09Å; L302-L369 HydrophobicContact CB-CD1 4.04Å; L302-L369 HydrophobicContact CB-CD2 3.68Å; L302-L369 HydrophobicContact CD1-CD2 4.1Å |
| 303 | R | 93.1 | Very high | 89.1 | Confident | 44 Ų | 44 | 24.9 Ų | 24.9 | 17% | 0.166 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.4 | -46.2 | 177 | -174.5 | -170.2 | 70 | -138.4 | -14.1 | 110.7 | A299 S300 S307 L369 V372 | A299-R303 VanDerWaalsContact O-CB 3.31Å; A299-R303 WeakPolarHBondContact O-CB 3.37Å; A299-R303 PolarHBondContact O-N 1.9Å; S300-R303 WeakPolarHBondContact O-CB 3.42Å; S300-R303 PolarHBondContact O-N 3.26Å; R303-S307 VanDerWaalsContact O-CB 3.3Å; R303-S307 WeakPolarHBondContact O-CB 3.4Å; R303-S307 PolarHBondContact O-N 3.15Å; R303-L369 HydrophobicContact CB-CB 4.32Å; R303-V372 HydrophobicContact CG-CG2 3.96Å |
| 304 | E | 92.4 | Very high | 89 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -76.2 | -36.4 | -179.9 | -57 | -52.2 | 153.8 | 0 | 0 | 112.9 | S62 I65 R66 S300 G301 L302 L306 S307 | S62-E304 WeakPolarHBondContact O-CB 3.36Å; S62-E304 WeakPolarHBondContact O-CG 3.15Å; I65-E304 HydrophobicContact CG2-CB 4.28Å; R66-E304 HydrophobicContact CB-CB 4.18Å; R66-E304 HydrophobicContact CB-CG 4.49Å; R66-E304 IonicContact CZ-OE1 2.91Å; R66-E304 IonicContact CZ-OE2 3.14Å; R66-E304 IonicContact NE-OE2 2.67Å; R66-E304 PolarHBondContact NE-OE2 3.14Å; R66-E304 IonicContact NH2-OE1 2.65Å; R66-E304 PolarHBondContact NH2-OE1 3.25Å; R66-E304 IonicContact NH2-OE2 2.71Å; R66-E304 PolarHBondContact NH2-OE2 3.44Å; S300-E304 WeakPolarHBondContact O-CG 3.17Å; S300-E304 PolarHBondContact O-N 3.36Å; S300-E304 VanDerWaalsContact O-N 3.1Å; G301-E304 PolarHBondContact O-N 3.18Å; L302-E304 VanDerWaalsContact C-N 3.31Å; L302-E304 PolarHBondContact O-N 3.12Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.49Å; E304-S307 PolarHBondContact O-N 3.27Å |
| 305 | L | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 176.8 | -171.5 | 73.9 | 0 | 0 | 0 | 112.2 | F43 I65 V69 L276 M279 C280 G301 L302 | F43-L305 HydrophobicContact CZ-CD1 4.26Å; I65-L305 HydrophobicContact CG2-CB 4.09Å; I65-L305 HydrophobicContact CG2-CD1 4.11Å; V69-L305 HydrophobicContact CG2-CD1 3.89Å; L276-L305 HydrophobicContact CB-CD1 4.4Å; L276-L305 HydrophobicContact CD1-CD1 4.08Å; L276-L305 HydrophobicContact CD2-CD1 4.42Å; M279-L305 HydrophobicContact CG-CD1 4.43Å; M279-L305 HydrophobicContact CG-CD2 4.32Å; C280-L305 HydrophobicContact CB-CD2 3.94Å; G301-L305 WeakPolarHBondContact O-CB 3.28Å; G301-L305 PolarHBondContact O-N 2.96Å; L302-L305 PolarHBondContact O-N 3.3Å |
| 306 | L | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.2 | -175.1 | -57.7 | 175.5 | 0 | 0 | 0 | 113.5 | W274 L302 E304 T312 I337 L369 V372 L373 | W274-L306 HydrophobicContact CH2-CD2 3.74Å; W274-L306 HydrophobicContact CZ3-CD2 4.49Å; L302-L306 HydrophobicContact CD2-CD1 4.47Å; L302-L306 WeakPolarHBondContact O-CB 3.21Å; L302-L306 WeakPolarHBondContact O-CG 3.32Å; L302-L306 PolarHBondContact O-N 3.09Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.49Å; L306-T312 VanDerWaalsContact C-OG1 3.27Å; L306-T312 WeakPolarHBondContact CA-OG1 3.34Å; L306-T312 HydrophobicContact CB-CG2 4.41Å; L306-T312 HydrophobicContact CD2-CG2 4.37Å; L306-T312 PolarHBondContact O-OG1 2.96Å; L306-I337 HydrophobicContact CD1-CD1 4.13Å; L306-I337 HydrophobicContact CD1-CG2 4.39Å; L306-L369 HydrophobicContact CD1-CD1 4.29Å; L306-V372 WeakPolarHBondContact O-CG1 3.2Å; L306-L373 HydrophobicContact CD1-CD2 3.89Å |
| 307 | S | 86.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 25.4 Ų | 25.4 | 34% | 0.336 | 12% | 0.12 | S | C | . | . | trans | -75 | -21.6 | -177.3 | -176.6 | 0 | 0 | 0 | 0 | 114.7 | R303 E304 P309 | R303-S307 VanDerWaalsContact O-CB 3.3Å; R303-S307 WeakPolarHBondContact O-CB 3.4Å; R303-S307 PolarHBondContact O-N 3.15Å; E304-S307 PolarHBondContact O-N 3.27Å; S307-P309 WeakPolarHBondContact O-CD 3.22Å | ||
| 308 | E | 84.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 27.9 Ų | 27.9 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -97.6 | 112.3 | -174.2 | -167.3 | 60.7 | -134.2 | 0 | 0 | 110.6 | V69 R70 R310 H311 T312 | V69-E308 HydrophobicContact CG1-CB 3.82Å; R70-E308 IonicContact NE-OE2 3.7Å; E308-R310 PolarHBondContact O-N 3.32Å; E308-H311 PolarHBondContact O-N 3.49Å; E308-T312 PolarHBondContact O-N 3.39Å; E308-T312 PolarHBondContact O-OG1 3.32Å |
| 309 | P | 83.4 | Confident | 86.9 | Confident | 56 Ų | 56 | 30.6 Ų | 30.6 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.6 | -21.2 | -168.5 | -29.4 | 37.2 | 0 | 0 | 0 | 116.1 | S307 K313 | S307-P309 WeakPolarHBondContact O-CD 3.22Å; P309-K313 WeakPolarHBondContact O-CB 3.13Å; P309-K313 WeakPolarHBondContact O-CD 3.25Å; P309-K313 WeakPolarHBondContact O-CG 3.41Å; P309-K313 PolarHBondContact O-N 2.93Å |
| 310 | R | 82.8 | Confident | 85.9 | Confident | 152 Ų | 152 | 34 Ų | 34 | 57% | 0.574 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.5 | -47.6 | -178.1 | -52.1 | -172.8 | -163.9 | -166.2 | 3 | 111.8 | D74 E308 Q314 | D74-R310 WeakPolarHBondContact OD1-CB 3.44Å; D74-R310 WeakPolarHBondContact OD1-CD 3.42Å; D74-R310 IonicContact OD2-NH1 3.66Å; E308-R310 PolarHBondContact O-N 3.32Å; R310-Q314 WeakPolarHBondContact O-CG 3.49Å |
| 311 | H | 84.6 | Confident | 85 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.046 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -81.3 | -40.3 | 179.8 | -58.9 | -69.5 | 0 | 0 | 0 | 111.5 | V69 P73 W274 L276 E308 K313 Q314 A315 | V69-H311 PolarHBondContact O-CD2 2.91Å; V69-H311 PolarHBondContact O-NE2 3.24Å; V69-H311 VanDerWaalsContact O-NE2 3.15Å; P73-H311 PolarHBondContact O-CE1 3.46Å; W274-H311 HydrophobicContact CZ2-CB 4.26Å; W274-H311 PolarHBondContact NE1-O 3.33Å; L276-H311 HydrophobicContact CD1-CB 4.2Å; E308-H311 PolarHBondContact O-N 3.49Å; H311-K313 VanDerWaalsContact C-N 3.32Å; H311-K313 PolarHBondContact O-N 2.99Å; H311-Q314 PolarHBondContact O-N 2.95Å; H311-A315 PolarHBondContact O-N 3.5Å |
| 312 | T | 85.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | -178.2 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | L306 E308 Q314 A315 H330 L334 H376 | L306-T312 VanDerWaalsContact C-OG1 3.27Å; L306-T312 WeakPolarHBondContact CA-OG1 3.34Å; L306-T312 HydrophobicContact CB-CG2 4.41Å; L306-T312 HydrophobicContact CD2-CG2 4.37Å; L306-T312 PolarHBondContact O-OG1 2.96Å; E308-T312 PolarHBondContact O-N 3.39Å; E308-T312 PolarHBondContact O-OG1 3.32Å; T312-Q314 PolarHBondContact O-N 3.49Å; T312-Q314 VanDerWaalsContact O-N 3.07Å; T312-A315 VanDerWaalsContact O-CB 3.32Å; T312-A315 WeakPolarHBondContact O-CB 3.45Å; T312-A315 PolarHBondContact O-N 3.48Å; T312-A315 VanDerWaalsContact O-N 3.11Å; T312-H330 PolarHBondContact O-CE1 3.28Å; T312-L334 HydrophobicContact CG2-CD2 4.33Å; T312-H376 HydrophobicContact CG2-CB 4.45Å |
| 313 | K | 85.1 | Confident | 83.8 | Confident | 124 Ų | 124 | 44.4 Ų | 44.4 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.6 | 174.3 | -80.4 | 178.8 | 177.9 | -173.3 | 0 | 115.3 | P309 H311 K317 | P309-K313 WeakPolarHBondContact O-CB 3.13Å; P309-K313 WeakPolarHBondContact O-CD 3.25Å; P309-K313 WeakPolarHBondContact O-CG 3.41Å; P309-K313 PolarHBondContact O-N 2.93Å; H311-K313 VanDerWaalsContact C-N 3.32Å; H311-K313 PolarHBondContact O-N 2.99Å; K313-K317 WeakPolarHBondContact O-CE 3.45Å; K313-K317 PolarHBondContact O-NZ 3.4Å |
| 314 | Q | 85.2 | Confident | 83.3 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -5.4 | 179.8 | -46.3 | -67.7 | 14.9 | 0 | 0 | 112.5 | W75 R310 H311 T312 G316 K317 | W75-Q314 HydrophobicContact CE3-CB 3.8Å; W75-Q314 HydrophobicContact CE3-CG 4.48Å; W75-Q314 HydrophobicContact CZ3-CB 4.08Å; W75-Q314 WeakPolarHBondContact O-CG 3.24Å; R310-Q314 WeakPolarHBondContact O-CG 3.49Å; H311-Q314 PolarHBondContact O-N 2.95Å; T312-Q314 PolarHBondContact O-N 3.49Å; T312-Q314 VanDerWaalsContact O-N 3.07Å; Q314-G316 PolarHBondContact O-N 2.65Å; Q314-K317 WeakPolarHBondContact O-CB 3.36Å; Q314-K317 PolarHBondContact O-N 3.35Å |
| 315 | A | 86.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 133.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | W274 H311 T312 K317 H330 Y333 | W274-A315 HydrophobicContact CD2-CB 3.93Å; W274-A315 HydrophobicContact CE3-CB 3.77Å; W274-A315 HydrophobicContact CH2-CB 3.84Å; W274-A315 HydrophobicContact CZ2-CB 3.97Å; W274-A315 HydrophobicContact CZ3-CB 3.73Å; H311-A315 PolarHBondContact O-N 3.5Å; T312-A315 VanDerWaalsContact O-CB 3.32Å; T312-A315 WeakPolarHBondContact O-CB 3.45Å; T312-A315 PolarHBondContact O-N 3.48Å; T312-A315 VanDerWaalsContact O-N 3.11Å; A315-K317 VanDerWaalsContact C-N 3.27Å; A315-K317 PolarHBondContact O-N 3.42Å; A315-H330 WeakPolarHBondContact O-CA 3.33Å; A315-H330 PolarHBondContact O-ND1 2.68Å; A315-Y333 HydrophobicContact CB-CD1 3.89Å; A315-Y333 HydrophobicContact CB-CE1 3.82Å |
| 316 | G | 81.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -1.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q314 Y318 N329 Y333 | Q314-G316 PolarHBondContact O-N 2.65Å; G316-Y318 WeakPolarHBondContact O-CD2 3.38Å; G316-Y318 VanDerWaalsContact O-CE2 3.28Å; G316-Y318 WeakPolarHBondContact O-CE2 3.43Å; G316-N329 WeakPolarHBondContact O-CB 3.45Å; G316-Y333 VanDerWaalsContact CA-CD2 3.46Å |
| 317 | K | 85.1 | Confident | 82.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | trans | -81.1 | 149 | 173.1 | -60.8 | -173.2 | -175.9 | 169.7 | 0 | 111.3 | W75 K313 Q314 A315 M326 H330 | W75-K317 HydrophobicContact CZ3-CB 4.32Å; K313-K317 WeakPolarHBondContact O-CE 3.45Å; K313-K317 PolarHBondContact O-NZ 3.4Å; Q314-K317 WeakPolarHBondContact O-CB 3.36Å; Q314-K317 PolarHBondContact O-N 3.35Å; A315-K317 VanDerWaalsContact C-N 3.27Å; A315-K317 PolarHBondContact O-N 3.42Å; K317-M326 HydrophobicContact CB-CB 4.36Å; K317-M326 HydrophobicContact CB-CE 4.32Å; K317-M326 HydrophobicContact CD-CB 4.07Å; K317-M326 HydrophobicContact CD-CE 4.43Å; K317-M326 HydrophobicContact CG-CB 4.04Å; K317-H330 HydrophobicContact CG-CB 4.12Å | ||
| 318 | Y | 79.8 | Confident | 82.2 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 146.8 | 176.4 | -61.3 | -95.5 | 0 | 0 | 0 | 111.9 | G272 H273 G316 G320 M326 | G272-Y318 CarbonylContact O-C 2.98Å; G272-Y318 WeakPolarHBondContact O-CA 3.28Å; G272-Y318 VanDerWaalsContact O-CB 3.27Å; G272-Y318 WeakPolarHBondContact O-CB 3.34Å; G272-Y318 VanDerWaalsContact O-CD1 3.29Å; G272-Y318 WeakPolarHBondContact O-CD1 3.5Å; H273-Y318 HydrophobicContact CB-CD1 4.39Å; H273-Y318 HydrophobicContact CB-CE1 4.28Å; H273-Y318 AromaticContact CD2-CE1 3.9Å; H273-Y318 AromaticContact CG-CE1 3.93Å; G316-Y318 WeakPolarHBondContact O-CD2 3.38Å; G316-Y318 VanDerWaalsContact O-CE2 3.28Å; G316-Y318 WeakPolarHBondContact O-CE2 3.43Å; Y318-G320 PolarHBondContact O-N 3.09Å; Y318-M326 WeakPolarHBondContact O-CE 3.47Å |
| 319 | I | 75.6 | Confident | 82.2 | Confident | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 128.6 | 176.4 | -58.5 | 177.7 | 0 | 0 | 0 | 108.9 | W75 P77 P270 G272 | W75-I319 HydrophobicContact CH2-CG1 4.45Å; W75-I319 HydrophobicContact CZ2-CD1 4.09Å; W75-I319 HydrophobicContact CZ2-CG1 3.9Å; P77-I319 HydrophobicContact CB-CG1 3.97Å; P270-I319 HydrophobicContact CB-CD1 3.96Å; P270-I319 HydrophobicContact CG-CD1 4.32Å; G272-I319 PolarHBondContact O-N 3.44Å |
| 320 | G | 73.4 | Confident | 82.5 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 73% | 0.732 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -4.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y318 | Y318-G320 PolarHBondContact O-N 3.09Š|
| 321 | Q | 74.4 | Confident | 82.8 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80.2 | 159.4 | 170 | -73.6 | 174.3 | -13.3 | 0 | 0 | 111.4 | E325 M326 N329 | Q321-E325 HydrophobicContact CB-CB 4.13Å; Q321-M326 HydrophobicContact CB-CG 3.48Å; Q321-M326 VanDerWaalsContact CB-CG 3.48Å; Q321-M326 HydrophobicContact CB-SD 4.29Å; Q321-N329 PolarHBondContact NE2-ND2 3.47Å; Q321-N329 PolarHBondContact OE1-ND2 2.99Å |
| 322 | S | 79.1 | Confident | 82.9 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | trans | -71.9 | 152.4 | 169.2 | 66.8 | 0 | 0 | 0 | 0 | 111 | I324 E325 M326 | S322-I324 PolarHBondContact O-N 3Å; S322-E325 VanDerWaalsContact CB-OE2 3.3Å; S322-E325 WeakPolarHBondContact CB-OE2 3.48Å; S322-E325 PolarHBondContact N-OE2 3.47Å; S322-E325 PolarHBondContact O-N 3.16Å; S322-E325 VanDerWaalsContact OG-CG 3.28Å; S322-E325 WeakPolarHBondContact OG-CG 3.39Å; S322-E325 PolarHBondContact OG-N 3.31Å; S322-E325 PolarHBondContact OG-OE2 3.04Å; S322-M326 WeakPolarHBondContact O-CG 3.33Å; S322-M326 PolarHBondContact O-N 3.03Å | ||
| 323 | E | 79.8 | Confident | 83 | Confident | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -52.4 | -36.4 | -178 | -179.3 | 174.8 | -164.3 | 0 | 0 | 112.9 | M326 Y327 | E323-M326 PolarHBondContact O-N 3.42Å; E323-Y327 HydrophobicContact CG-CD2 3.82Å; E323-Y327 HydrophobicContact CG-CE2 3.37Å; E323-Y327 WeakPolarHBondContact O-CD2 3.33Å; E323-Y327 PolarHBondContact O-N 2.85Å; E323-Y327 WeakPolarHBondContact OE1-CE2 3.17Å; E323-Y327 PolarHBondContact OE1-OH 3.4Å |
| 324 | I | 83 | Confident | 83.3 | Confident | 123 Ų | 123 | 51.5 Ų | 51.5 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.2 | -47.5 | 176.9 | -61.2 | 169.9 | 0 | 0 | 0 | 111.4 | S322 M326 Y327 N328 | S322-I324 PolarHBondContact O-N 3Å; I324-M326 VanDerWaalsContact C-N 3.26Å; I324-M326 PolarHBondContact O-N 2.97Å; I324-Y327 PolarHBondContact O-N 2.71Å; I324-N328 VanDerWaalsContact O-CG 3.22Å; I324-N328 PolarHBondContact O-N 3.06Å; I324-N328 PolarHBondContact O-ND2 3.13Å |
| 325 | E | 82.5 | Confident | 83.4 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.2 | -70.8 | 161.6 | 148 | 0 | 0 | 111.3 | Q321 S322 N328 N329 | Q321-E325 HydrophobicContact CB-CB 4.13Å; S322-E325 VanDerWaalsContact CB-OE2 3.3Å; S322-E325 WeakPolarHBondContact CB-OE2 3.48Å; S322-E325 PolarHBondContact N-OE2 3.47Å; S322-E325 PolarHBondContact O-N 3.16Å; S322-E325 VanDerWaalsContact OG-CG 3.28Å; S322-E325 WeakPolarHBondContact OG-CG 3.39Å; S322-E325 PolarHBondContact OG-N 3.31Å; S322-E325 PolarHBondContact OG-OE2 3.04Å; E325-N328 PolarHBondContact O-N 3.12Å; E325-N329 WeakPolarHBondContact O-CB 3.2Å; E325-N329 VanDerWaalsContact O-CG 3.28Å; E325-N329 PolarHBondContact O-N 3.26Å; E325-N329 PolarHBondContact O-ND2 3.38Å |
| 326 | M | 82.5 | Confident | 83.5 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.1 | -63.1 | 164 | 87.2 | 0 | 0 | 111.9 | P77 K317 Y318 Q321 S322 E323 I324 H330 | P77-M326 HydrophobicContact CB-CE 3.52Å; P77-M326 HydrophobicContact CG-CE 3.12Å; K317-M326 HydrophobicContact CB-CB 4.36Å; K317-M326 HydrophobicContact CB-CE 4.32Å; K317-M326 HydrophobicContact CD-CB 4.07Å; K317-M326 HydrophobicContact CD-CE 4.43Å; K317-M326 HydrophobicContact CG-CB 4.04Å; Y318-M326 WeakPolarHBondContact O-CE 3.47Å; Q321-M326 HydrophobicContact CB-CG 3.48Å; Q321-M326 VanDerWaalsContact CB-CG 3.48Å; Q321-M326 HydrophobicContact CB-SD 4.29Å; S322-M326 WeakPolarHBondContact O-CG 3.33Å; S322-M326 PolarHBondContact O-N 3.03Å; E323-M326 PolarHBondContact O-N 3.42Å; I324-M326 VanDerWaalsContact C-N 3.26Å; I324-M326 PolarHBondContact O-N 2.97Å; M326-H330 VanDerWaalsContact O-CB 3.24Å; M326-H330 WeakPolarHBondContact O-CB 3.44Å; M326-H330 PolarHBondContact O-N 3.39Å |
| 327 | Y | 86.1 | Confident | 83.9 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 172.3 | -74.2 | -59.1 | 0 | 0 | 0 | 111.9 | E323 I324 H330 Y331 | E323-Y327 HydrophobicContact CG-CD2 3.82Å; E323-Y327 HydrophobicContact CG-CE2 3.37Å; E323-Y327 WeakPolarHBondContact O-CD2 3.33Å; E323-Y327 PolarHBondContact O-N 2.85Å; E323-Y327 WeakPolarHBondContact OE1-CE2 3.17Å; E323-Y327 PolarHBondContact OE1-OH 3.4Å; I324-Y327 PolarHBondContact O-N 2.71Å; Y327-H330 WeakPolarHBondContact O-CB 3.29Å; Y327-H330 PolarHBondContact O-N 3Å; Y327-Y331 WeakPolarHBondContact O-CD2 3.34Å; Y327-Y331 PolarHBondContact O-N 2.91Å |
| 328 | N | 85.6 | Confident | 84.2 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 176.9 | -69.8 | -18.4 | 0 | 0 | 0 | 111.9 | I324 E325 Y331 Q332 | I324-N328 VanDerWaalsContact O-CG 3.22Å; I324-N328 PolarHBondContact O-N 3.06Å; I324-N328 PolarHBondContact O-ND2 3.13Å; E325-N328 PolarHBondContact O-N 3.12Å; N328-Y331 PolarHBondContact O-N 2.85Å; N328-Q332 WeakPolarHBondContact O-CG 3.48Å; N328-Q332 PolarHBondContact O-N 3.12Å |
| 329 | N | 85.3 | Confident | 84.6 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 18% | 0.176 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 176.7 | -70.3 | -27 | 0 | 0 | 0 | 112.1 | G316 Q321 E325 Q332 Y333 | G316-N329 WeakPolarHBondContact O-CB 3.45Å; Q321-N329 PolarHBondContact NE2-ND2 3.47Å; Q321-N329 PolarHBondContact OE1-ND2 2.99Å; E325-N329 WeakPolarHBondContact O-CB 3.2Å; E325-N329 VanDerWaalsContact O-CG 3.28Å; E325-N329 PolarHBondContact O-N 3.26Å; E325-N329 PolarHBondContact O-ND2 3.38Å; N329-Q332 PolarHBondContact O-N 3.3Å; N329-Y333 VanDerWaalsContact O-CB 3.23Å; N329-Y333 WeakPolarHBondContact O-CB 3.34Å; N329-Y333 PolarHBondContact O-N 2.99Å |
| 330 | H | 88.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 171.9 | 171.6 | 57.8 | 0 | 0 | 0 | 112.1 | T312 A315 K317 M326 Y327 Y333 L334 | T312-H330 PolarHBondContact O-CE1 3.28Å; A315-H330 WeakPolarHBondContact O-CA 3.33Å; A315-H330 PolarHBondContact O-ND1 2.68Å; K317-H330 HydrophobicContact CG-CB 4.12Å; M326-H330 VanDerWaalsContact O-CB 3.24Å; M326-H330 WeakPolarHBondContact O-CB 3.44Å; M326-H330 PolarHBondContact O-N 3.39Å; Y327-H330 WeakPolarHBondContact O-CB 3.29Å; Y327-H330 PolarHBondContact O-N 3Å; H330-Y333 PolarHBondContact O-N 3.01Å; H330-L334 VanDerWaalsContact CE1-CD1 3.49Å; H330-L334 WeakPolarHBondContact CE1-CD1 3.3Å; H330-L334 WeakPolarHBondContact O-CG 3.46Å; H330-L334 PolarHBondContact O-N 3.47Å |
| 331 | Y | 89 | Confident | 86.1 | Confident | 79 Ų | 79 | 42.2 Ų | 42.2 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 178.1 | -71 | -55.9 | 0 | 0 | 0 | 112.6 | Y327 N328 L334 E335 T378 | Y327-Y331 WeakPolarHBondContact O-CD2 3.34Å; Y327-Y331 PolarHBondContact O-N 2.91Å; N328-Y331 PolarHBondContact O-N 2.85Å; Y331-L334 PolarHBondContact O-N 2.93Å; Y331-E335 WeakPolarHBondContact O-CG 3.41Å; Y331-E335 PolarHBondContact O-N 2.8Å; Y331-T378 HydrophobicContact CD1-CG2 4.07Å; Y331-T378 HydrophobicContact CE1-CG2 3.6Å |
| 332 | Q | 86.7 | Confident | 86.9 | Confident | 95 Ų | 95 | 39.8 Ų | 39.8 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 173.1 | -71.8 | 179.5 | 3.9 | 0 | 0 | 112.5 | N328 N329 E335 D336 | N328-Q332 WeakPolarHBondContact O-CG 3.48Å; N328-Q332 PolarHBondContact O-N 3.12Å; N329-Q332 PolarHBondContact O-N 3.3Å; Q332-E335 PolarHBondContact O-N 3.34Å; Q332-D336 PolarHBondContact O-N 3.28Å |
| 333 | Y | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.9 | -172 | -82.9 | 0 | 0 | 0 | 111.8 | F95 W274 D277 C280 A315 G316 N329 H330 I337 | F95-Y333 AromaticContact CE1-CD2 3.72Å; F95-Y333 HydrophobicContact CE1-CD2 3.72Å; F95-Y333 HydrophobicContact CE1-CE2 4.48Å; F95-Y333 HydrophobicContact CE1-CG 4.43Å; F95-Y333 HydrophobicContact CZ-CD2 4.24Å; W274-Y333 HydrophobicContact CZ3-CE1 4.36Å; D277-Y333 WeakPolarHBondContact OD1-CE2 3.4Å; D277-Y333 VanDerWaalsContact OD1-CZ 3.3Å; D277-Y333 PolarHBondContact OD1-OH 2.97Å; C280-Y333 PolarHBondContact SG-OH 3.44Å; A315-Y333 HydrophobicContact CB-CD1 3.89Å; A315-Y333 HydrophobicContact CB-CE1 3.82Å; G316-Y333 VanDerWaalsContact CA-CD2 3.46Å; N329-Y333 VanDerWaalsContact O-CB 3.23Å; N329-Y333 WeakPolarHBondContact O-CB 3.34Å; N329-Y333 PolarHBondContact O-N 2.99Å; H330-Y333 PolarHBondContact O-N 3.01Å; Y333-I337 HydrophobicContact CD1-CD1 3.84Å; Y333-I337 HydrophobicContact CE1-CD1 3.44Å; Y333-I337 VanDerWaalsContact CE1-CD1 3.44Å; Y333-I337 HydrophobicContact CE1-CG1 4.38Å; Y333-I337 WeakPolarHBondContact O-CG1 3.33Å; Y333-I337 PolarHBondContact O-N 3.32Å |
| 334 | L | 90.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 173.7 | -70.6 | -177.1 | 0 | 0 | 0 | 112.3 | T312 H330 Y331 I337 V338 L373 H376 L377 | T312-L334 HydrophobicContact CG2-CD2 4.33Å; H330-L334 VanDerWaalsContact CE1-CD1 3.49Å; H330-L334 WeakPolarHBondContact CE1-CD1 3.3Å; H330-L334 WeakPolarHBondContact O-CG 3.46Å; H330-L334 PolarHBondContact O-N 3.47Å; Y331-L334 PolarHBondContact O-N 2.93Å; L334-I337 PolarHBondContact O-N 2.99Å; L334-V338 WeakPolarHBondContact O-CB 3.35Å; L334-V338 WeakPolarHBondContact O-CG2 3.33Å; L334-V338 PolarHBondContact O-N 3.46Å; L334-L373 HydrophobicContact CD2-CD2 4.25Å; L334-H376 HydrophobicContact CD1-CB 3.81Å; L334-L377 HydrophobicContact CB-CD2 4Å; L334-L377 HydrophobicContact CD1-CD2 4.44Å |
| 335 | E | 88.9 | Confident | 88 | Confident | 29 Ų | 29 | 26 Ų | 26 | 14% | 0.136 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 175.2 | -79.8 | -173.7 | -157.6 | 0 | 0 | 111.9 | L98 Y331 Q332 I337 V338 V339 Q381 | L98-E335 HydrophobicContact CB-CB 4.2Å; L98-E335 HydrophobicContact CB-CG 3.82Å; L98-E335 PolarHBondContact N-OE2 3.37Å; Y331-E335 WeakPolarHBondContact O-CG 3.41Å; Y331-E335 PolarHBondContact O-N 2.8Å; Q332-E335 PolarHBondContact O-N 3.34Å; E335-I337 VanDerWaalsContact C-N 3.34Å; E335-I337 PolarHBondContact O-N 3.38Å; E335-V338 PolarHBondContact O-N 3.34Å; E335-V338 VanDerWaalsContact O-N 3.14Å; E335-V339 WeakPolarHBondContact O-CB 3.35Å; E335-V339 VanDerWaalsContact O-CG2 3.27Å; E335-V339 WeakPolarHBondContact O-CG2 3.24Å; E335-V339 PolarHBondContact O-N 2.91Å; E335-Q381 PolarHBondContact OE1-NE2 2.91Å |
| 336 | D | 88.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 178.4 | 173.2 | 96.7 | 0 | 0 | 0 | 112.6 | F95 L96 R163 Q332 V339 R340 | F95-D336 HydrophobicContact CB-CB 4.46Å; F95-D336 HydrophobicContact CD1-CB 3.97Å; L96-D336 PolarHBondContact N-OD1 3.19Å; L96-D336 WeakPolarHBondContact O-CA 3.45Å; L96-D336 PolarHBondContact O-N 2.75Å; R163-D336 IonicContact CZ-OD2 3.09Å; R163-D336 IonicContact NH1-OD1 2.67Å; R163-D336 IonicContact NH1-OD2 2.74Å; R163-D336 PolarHBondContact NH1-OD2 2.97Å; Q332-D336 PolarHBondContact O-N 3.28Å; D336-V339 PolarHBondContact O-N 2.9Å; D336-R340 VanDerWaalsContact O-CG 3.28Å; D336-R340 WeakPolarHBondContact O-CG 3.3Å; D336-R340 PolarHBondContact O-N 3.25Å; D336-R340 IonicContact OD1-CZ 3.81Å; D336-R340 IonicContact OD1-NE 3.22Å; D336-R340 PolarHBondContact OD1-NE 3.44Å; D336-R340 IonicContact OD1-NH2 2.75Å; D336-R340 PolarHBondContact OD1-NH2 3.15Å; D336-R340 IonicContact OD2-CZ 3.65Å; D336-R340 IonicContact OD2-NE 2.78Å; D336-R340 PolarHBondContact OD2-NE 2.67Å; D336-R340 IonicContact OD2-NH2 3.21Å; D336-R340 PolarHBondContact OD2-NH2 2.87Å |
| 337 | I | 89.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.3 | -67.7 | 177.9 | 0 | 0 | 0 | 110.6 | L284 L306 Y333 L334 E335 V339 R340 V341 L373 | L284-I337 HydrophobicContact CD1-CD1 4.4Å; L284-I337 HydrophobicContact CD1-CG1 3.85Å; L284-I337 HydrophobicContact CD2-CB 4.48Å; L284-I337 HydrophobicContact CD2-CG1 4.14Å; L284-I337 HydrophobicContact CD2-CG2 4.15Å; L306-I337 HydrophobicContact CD1-CD1 4.13Å; L306-I337 HydrophobicContact CD1-CG2 4.39Å; Y333-I337 HydrophobicContact CD1-CD1 3.84Å; Y333-I337 HydrophobicContact CE1-CD1 3.44Å; Y333-I337 VanDerWaalsContact CE1-CD1 3.44Å; Y333-I337 HydrophobicContact CE1-CG1 4.38Å; Y333-I337 WeakPolarHBondContact O-CG1 3.33Å; Y333-I337 PolarHBondContact O-N 3.32Å; L334-I337 PolarHBondContact O-N 2.99Å; E335-I337 VanDerWaalsContact C-N 3.34Å; E335-I337 PolarHBondContact O-N 3.38Å; I337-V339 PolarHBondContact O-N 2.82Å; I337-R340 PolarHBondContact O-N 2.97Å; I337-V341 HydrophobicContact CG2-CG2 4.42Å; I337-V341 WeakPolarHBondContact O-CG2 3.4Å; I337-V341 PolarHBondContact O-N 3.47Å; I337-L373 HydrophobicContact CG2-CD1 3.62Å; I337-L373 HydrophobicContact CG2-CD2 3.92Å; I337-L373 HydrophobicContact CG2-CG 4.44Å |
| 338 | V | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | -178.8 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | L98 L334 E335 V341 L342 L370 L373 L377 V385 | L98-V338 HydrophobicContact CD1-CG1 4.24Å; L334-V338 WeakPolarHBondContact O-CB 3.35Å; L334-V338 WeakPolarHBondContact O-CG2 3.33Å; L334-V338 PolarHBondContact O-N 3.46Å; E335-V338 PolarHBondContact O-N 3.34Å; E335-V338 VanDerWaalsContact O-N 3.14Å; V338-V341 PolarHBondContact O-N 3.42Å; V338-L342 HydrophobicContact CG1-CD1 4Å; V338-L342 HydrophobicContact CG1-CG 4.43Å; V338-L342 WeakPolarHBondContact O-CB 3.49Å; V338-L342 VanDerWaalsContact O-CG 3.31Å; V338-L342 WeakPolarHBondContact O-CG 3.45Å; V338-L342 PolarHBondContact O-N 2.82Å; V338-L370 HydrophobicContact CG1-CD1 3.96Å; V338-L370 HydrophobicContact CG2-CD1 4.43Å; V338-L373 HydrophobicContact CG2-CB 4.07Å; V338-L373 HydrophobicContact CG2-CD1 3.99Å; V338-L373 HydrophobicContact CG2-CG 4.48Å; V338-L377 HydrophobicContact CG1-CD1 4.5Å; V338-L377 HydrophobicContact CG2-CD1 3.97Å; V338-L377 HydrophobicContact CG2-CD2 4.21Å; V338-L377 HydrophobicContact CG2-CG 4.48Å; V338-V385 HydrophobicContact CG1-CG2 3.48Å; V338-V385 VanDerWaalsContact CG1-CG2 3.48Å |
| 339 | V | 88.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 173 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | L96 L98 L101 E335 D336 I337 V341 L342 C343 | L96-V339 HydrophobicContact CB-CB 4.2Å; L96-V339 HydrophobicContact CB-CG1 3.86Å; L96-V339 HydrophobicContact CB-CG2 4.43Å; L96-V339 HydrophobicContact CD1-CG1 3.81Å; L96-V339 HydrophobicContact CG-CG1 4.47Å; L98-V339 HydrophobicContact CB-CG2 4.35Å; L98-V339 HydrophobicContact CD1-CG2 4.14Å; L101-V339 HydrophobicContact CB-CG2 4.44Å; L101-V339 HydrophobicContact CD1-CG1 3.83Å; L101-V339 HydrophobicContact CD2-CB 4.45Å; L101-V339 HydrophobicContact CD2-CG1 4.1Å; L101-V339 HydrophobicContact CD2-CG2 4.16Å; L101-V339 HydrophobicContact CG-CG1 4.42Å; E335-V339 WeakPolarHBondContact O-CB 3.35Å; E335-V339 VanDerWaalsContact O-CG2 3.27Å; E335-V339 WeakPolarHBondContact O-CG2 3.24Å; E335-V339 PolarHBondContact O-N 2.91Å; D336-V339 PolarHBondContact O-N 2.9Å; I337-V339 PolarHBondContact O-N 2.82Å; V339-V341 VanDerWaalsContact C-N 3.34Å; V339-V341 PolarHBondContact O-N 2.98Å; V339-L342 PolarHBondContact O-N 3.47Å; V339-C343 WeakPolarHBondContact O-CB 3.32Å; V339-C343 PolarHBondContact O-N 3.43Å; V339-C343 PolarHBondContact O-SG 3.33Å |
| 340 | R | 88.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 177.8 | -68.8 | 169.4 | -164 | -68.5 | -13.6 | 112.3 | N167 D336 I337 C343 T344 | N167-R340 PolarHBondContact OD1-NH1 3.22Å; N167-R340 PolarHBondContact OD1-NH2 3.32Å; D336-R340 VanDerWaalsContact O-CG 3.28Å; D336-R340 WeakPolarHBondContact O-CG 3.3Å; D336-R340 PolarHBondContact O-N 3.25Å; D336-R340 IonicContact OD1-CZ 3.81Å; D336-R340 IonicContact OD1-NE 3.22Å; D336-R340 PolarHBondContact OD1-NE 3.44Å; D336-R340 IonicContact OD1-NH2 2.75Å; D336-R340 PolarHBondContact OD1-NH2 3.15Å; D336-R340 IonicContact OD2-CZ 3.65Å; D336-R340 IonicContact OD2-NE 2.78Å; D336-R340 PolarHBondContact OD2-NE 2.67Å; D336-R340 IonicContact OD2-NH2 3.21Å; D336-R340 PolarHBondContact OD2-NH2 2.87Å; I337-R340 PolarHBondContact O-N 2.97Å; R340-C343 PolarHBondContact O-N 3.33Å; R340-T344 PolarHBondContact O-N 3.21Å; R340-T344 PolarHBondContact O-OG1 3.21Å |
| 341 | V | 91.3 | Very high | 87 | Confident | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.3 | -42.5 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L287 I337 V338 V339 C343 T344 L345 A366 L369 L370 L373 | L287-V341 HydrophobicContact CD1-CG2 4.35Å; I337-V341 HydrophobicContact CG2-CG2 4.42Å; I337-V341 WeakPolarHBondContact O-CG2 3.4Å; I337-V341 PolarHBondContact O-N 3.47Å; V338-V341 PolarHBondContact O-N 3.42Å; V339-V341 VanDerWaalsContact C-N 3.34Å; V339-V341 PolarHBondContact O-N 2.98Å; V341-C343 VanDerWaalsContact C-N 3.33Å; V341-C343 PolarHBondContact O-N 2.99Å; V341-T344 WeakPolarHBondContact O-CB 3.43Å; V341-T344 PolarHBondContact O-N 2.94Å; V341-L345 WeakPolarHBondContact O-CG 3.46Å; V341-L345 PolarHBondContact O-N 3.33Å; V341-A366 HydrophobicContact CG1-CB 4.37Å; V341-A366 VanDerWaalsContact CG1-O 3.29Å; V341-A366 WeakPolarHBondContact CG1-O 3.36Å; V341-L369 HydrophobicContact CG2-CD2 3.59Å; V341-L369 HydrophobicContact CG2-CG 4.04Å; V341-L370 HydrophobicContact CG1-CB 4.02Å; V341-L370 HydrophobicContact CG1-CD1 4.48Å; V341-L373 HydrophobicContact CG2-CD1 4.27Å |
| 342 | L | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 173.5 | -76.2 | 170.7 | 0 | 0 | 0 | 111.9 | L98 L101 V338 V339 L345 A346 L370 V385 H388 L389 | L98-L342 HydrophobicContact CD1-CD1 3.74Å; L101-L342 HydrophobicContact CD2-CB 4.43Å; L101-L342 HydrophobicContact CD2-CD1 4.18Å; V338-L342 HydrophobicContact CG1-CD1 4Å; V338-L342 HydrophobicContact CG1-CG 4.43Å; V338-L342 WeakPolarHBondContact O-CB 3.49Å; V338-L342 VanDerWaalsContact O-CG 3.31Å; V338-L342 WeakPolarHBondContact O-CG 3.45Å; V338-L342 PolarHBondContact O-N 2.82Å; V339-L342 PolarHBondContact O-N 3.47Å; L342-L345 PolarHBondContact O-N 3.18Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 2.94Å; L342-L370 HydrophobicContact CD2-CD2 4.05Å; L342-V385 HydrophobicContact CD2-CG1 4.38Å; L342-H388 HydrophobicContact CD1-CB 4.16Å; L342-L389 HydrophobicContact CD2-CD2 3.59Å; L342-L389 HydrophobicContact CD2-CG 3.96Å |
| 343 | C | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69 | -33.8 | 176.4 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | V106 L170 W288 V339 R340 V341 A346 L347 | V106-C343 HydrophobicContact CG1-CB 4.1Å; L170-C343 HydrophobicContact CD2-CB 4.14Å; W288-C343 HydrophobicContact CH2-CB 3.6Å; W288-C343 HydrophobicContact CZ2-CB 3.65Å; V339-C343 WeakPolarHBondContact O-CB 3.32Å; V339-C343 PolarHBondContact O-N 3.43Å; V339-C343 PolarHBondContact O-SG 3.33Å; R340-C343 PolarHBondContact O-N 3.33Å; V341-C343 VanDerWaalsContact C-N 3.33Å; V341-C343 PolarHBondContact O-N 2.99Å; C343-A346 PolarHBondContact O-N 3.43Å; C343-L347 WeakPolarHBondContact O-CB 3.36Å; C343-L347 PolarHBondContact O-N 3.03Å |
| 344 | T | 88.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 172.1 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | R340 V341 A346 L347 D348 V362 | R340-T344 PolarHBondContact O-N 3.21Å; R340-T344 PolarHBondContact O-OG1 3.21Å; V341-T344 WeakPolarHBondContact O-CB 3.43Å; V341-T344 PolarHBondContact O-N 2.94Å; T344-A346 VanDerWaalsContact C-N 3.26Å; T344-A346 PolarHBondContact O-N 3.07Å; T344-L347 PolarHBondContact O-N 3.26Å; T344-D348 VanDerWaalsContact O-CB 3.27Å; T344-D348 WeakPolarHBondContact O-CB 3.49Å; T344-D348 PolarHBondContact O-N 3.5Å; T344-V362 HydrophobicContact CG2-CG1 4.36Å |
| 345 | L | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -31.5 | 174.2 | -72.1 | 172 | 0 | 0 | 0 | 112.8 | V341 L342 R363 A366 A367 L370 L389 | V341-L345 WeakPolarHBondContact O-CG 3.46Å; V341-L345 PolarHBondContact O-N 3.33Å; L342-L345 PolarHBondContact O-N 3.18Å; L345-R363 HydrophobicContact CD2-CB 4.21Å; L345-R363 VanDerWaalsContact CD2-O 3.26Å; L345-R363 WeakPolarHBondContact CD2-O 3.31Å; L345-A366 HydrophobicContact CD2-CB 3.9Å; L345-A366 HydrophobicContact CG-CB 4.22Å; L345-A367 HydrophobicContact CD2-CB 4.08Å; L345-L370 HydrophobicContact CD1-CD2 3.96Å; L345-L389 HydrophobicContact CD1-CD2 4.42Å |
| 346 | A | 85.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -80.5 | -31.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I103 L107 L342 C343 T344 L392 | I103-A346 HydrophobicContact CD1-CB 4.47Å; L107-A346 HydrophobicContact CD2-CB 4.01Å; L107-A346 HydrophobicContact CG-CB 4.5Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 2.94Å; C343-A346 PolarHBondContact O-N 3.43Å; T344-A346 VanDerWaalsContact C-N 3.26Å; T344-A346 PolarHBondContact O-N 3.07Å; A346-L392 HydrophobicContact CB-CD1 4.21Å; A346-L392 HydrophobicContact CB-CD2 3.73Å |
| 347 | L | 84.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -108.5 | -18 | -171.9 | -65.5 | 178.9 | 0 | 0 | 0 | 115.5 | V106 L107 L113 W288 C343 T344 Q349 | V106-L347 HydrophobicContact CG1-CD1 3.88Å; V106-L347 HydrophobicContact CG1-CG 4.35Å; L107-L347 HydrophobicContact CD2-CD2 4.3Å; L113-L347 PolarHBondContact N-O 3.31Å; W288-L347 HydrophobicContact CH2-CD1 3.73Å; W288-L347 HydrophobicContact CZ3-CD1 3.62Å; C343-L347 WeakPolarHBondContact O-CB 3.36Å; C343-L347 PolarHBondContact O-N 3.03Å; T344-L347 PolarHBondContact O-N 3.26Å; L347-Q349 PolarHBondContact O-N 3.07Å; L347-Q349 PolarHBondContact O-NE2 3Å; L347-Q349 VanDerWaalsContact O-NE2 3.09Å |
| 348 | D | 86.6 | Confident | 78 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -70.3 | 116.1 | 178.1 | -177 | 89.9 | 0 | 0 | 0 | 112.5 | R295 T344 L350 V362 R363 | R295-D348 IonicContact CZ-OD1 3.32Å; R295-D348 IonicContact NE-OD1 2.94Å; R295-D348 PolarHBondContact NE-OD1 3.21Å; R295-D348 IonicContact NH2-OD1 3.8Å; R295-D348 PolarHBondContact NH2-OD1 3.29Å; T344-D348 VanDerWaalsContact O-CB 3.27Å; T344-D348 WeakPolarHBondContact O-CB 3.49Å; T344-D348 PolarHBondContact O-N 3.5Å; D348-L350 WeakPolarHBondContact OD2-CB 3.31Å; D348-L350 PolarHBondContact OD2-N 3.23Å; D348-L350 VanDerWaalsContact OD2-N 3.15Å; D348-V362 HydrophobicContact CB-CG1 4.35Å; D348-V362 WeakPolarHBondContact OD1-CG1 3.44Å; D348-R363 HydrophobicContact CB-CG 4.06Å; D348-R363 WeakPolarHBondContact O-CD 3.45Å; D348-R363 PolarHBondContact O-NH1 2.95Å; D348-R363 IonicContact OD2-NH1 3.88Å; D348-R363 PolarHBondContact OD2-NH1 3.31Å |
| 349 | Q | 78.9 | Confident | 77 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -104.7 | 21.2 | -179.3 | -51.2 | -55.7 | -80.9 | 0 | 0 | 112.2 | R112 L113 Y114 L347 M422 | R112-Q349 HydrophobicContact CB-CG 3.96Å; R112-Q349 HydrophobicContact CG-CG 4.48Å; L113-Q349 PolarHBondContact O-N 3.01Å; Y114-Q349 HydrophobicContact CD1-CB 3.74Å; Y114-Q349 HydrophobicContact CD1-CG 4.39Å; Y114-Q349 HydrophobicContact CE1-CB 3.64Å; Y114-Q349 HydrophobicContact CE1-CG 3.92Å; L347-Q349 PolarHBondContact O-N 3.07Å; L347-Q349 PolarHBondContact O-NE2 3Å; L347-Q349 VanDerWaalsContact O-NE2 3.09Å; Q349-M422 VanDerWaalsContact CA-SD 3.53Å; Q349-M422 HydrophobicContact CB-CE 4.5Å; Q349-M422 HydrophobicContact CB-SD 3.65Å; Q349-M422 HydrophobicContact CG-SD 4.28Å; Q349-M422 WeakPolarHBondContact O-CE 3.45Å; Q349-M422 PolarHBondContact OE1-SD 3.3Å | ||
| 350 | L | 79.2 | Confident | 76.6 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -74 | 136.7 | 174.6 | 179.2 | 75.8 | 0 | 0 | 0 | 110 | W292 D348 P361 V362 R363 | W292-L350 HydrophobicContact CB-CD1 4.03Å; W292-L350 HydrophobicContact CB-CD2 3.88Å; W292-L350 HydrophobicContact CB-CG 4.45Å; W292-L350 HydrophobicContact CD2-CD1 4.29Å; W292-L350 HydrophobicContact CD2-CD2 3.75Å; W292-L350 HydrophobicContact CE3-CD2 3.55Å; W292-L350 HydrophobicContact CG-CD1 3.89Å; W292-L350 HydrophobicContact CG-CD2 3.92Å; W292-L350 HydrophobicContact CZ3-CD2 4.3Å; D348-L350 WeakPolarHBondContact OD2-CB 3.31Å; D348-L350 PolarHBondContact OD2-N 3.23Å; D348-L350 VanDerWaalsContact OD2-N 3.15Å; L350-P361 HydrophobicContact CD2-CG 3.65Å; L350-V362 HydrophobicContact CD2-CB 4.42Å; L350-V362 HydrophobicContact CD2-CG2 3.74Å; L350-R363 PolarHBondContact O-NH1 3.29Å | ||
| 351 | S | 74.7 | Confident | 76.4 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | trans | -141 | 132.7 | 156.5 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | V359 R363 | S351-V359 CarbonylContact C-O 3.43Å; S351-V359 WeakPolarHBondContact CA-O 3.35Å; S351-V359 WeakPolarHBondContact CB-O 3.46Å; S351-R363 PolarHBondContact OG-NH2 3Å | ||
| 352 | D | 72.1 | Confident | 76.3 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | trans | -106.3 | 102.2 | -178.8 | -177.9 | 0.6 | 0 | 0 | 0 | 109 | I354 V359 P361 | D352-I354 VanDerWaalsContact C-N 3.31Å; D352-I354 VanDerWaalsContact OD1-CB 3.31Å; D352-I354 WeakPolarHBondContact OD1-CB 3.22Å; D352-I354 PolarHBondContact OD1-N 3.27Å; D352-V359 PolarHBondContact N-O 2.98Å; D352-P361 HydrophobicContact CB-CG 4.35Å | ||
| 353 | F | 67.1 | Low | 76.3 | Confident | 154 Ų | 154 | 38.8 Ų | 38.8 | 68% | 0.675 | 20% | 0.2 | S | C | * | . | trans | -89.7 | 7.2 | -179.8 | -54.2 | -78.7 | 0 | 0 | 0 | 112.9 | V359 | F353-V359 HydrophobicContact CE1-CG1 4.21Š| ||
| 354 | I | 60.5 | Low | 76.4 | Confident | 161 Ų | 161 | 40.2 Ų | 40.2 | 83% | 0.826 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -85.9 | -25.2 | 177.4 | -54.3 | 175.9 | 0 | 0 | 0 | 110.8 | D352 | D352-I354 VanDerWaalsContact C-N 3.31Å; D352-I354 VanDerWaalsContact OD1-CB 3.31Å; D352-I354 WeakPolarHBondContact OD1-CB 3.22Å; D352-I354 PolarHBondContact OD1-N 3.27Å |
| 355 | S | 58.2 | Low | 76.5 | Confident | 45 Ų | 45 | 40.5 Ų | 40.5 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | trans | -104.9 | 124.5 | -178.8 | 91.4 | 0 | 0 | 0 | 0 | 112.5 | E357 V358 | S355-E357 PolarHBondContact O-N 3.5Å; S355-E357 VanDerWaalsContact O-N 3.14Å; S355-V358 PolarHBondContact OG-N 3.2Å; S355-V358 PolarHBondContact OG-O 3.19Å | ||
| 356 | D | 56.6 | Low | 76.7 | Confident | 107 Ų | 107 | 40.5 Ų | 40.5 | 57% | 0.572 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -66.6 | -6.8 | 175.3 | -74.1 | -10.5 | 0 | 0 | 0 | 113.7 | P535 | D356-P535 HydrophobicContact CB-CG 3.78Å; D356-P535 WeakPolarHBondContact O-CB 3.41Å; D356-P535 WeakPolarHBondContact O-CG 3.43Å |
| 357 | E | 60.7 | Low | 77.1 | Confident | 187 Ų | 187 | 40.5 Ų | 40.5 | 87% | 0.874 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -109.4 | -29 | -173.6 | -66.4 | -168.5 | 163.4 | 0 | 0 | 114.3 | S355 | S355-E357 PolarHBondContact O-N 3.5Å; S355-E357 VanDerWaalsContact O-N 3.14Å |
| 358 | V | 58.5 | Low | 77.5 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 26% | 0.255 | 22% | 0.22 | S | C | . | . | trans | -141.9 | 94 | -172.6 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | S355 A360 P361 E364 | S355-V358 PolarHBondContact OG-N 3.2Å; S355-V358 PolarHBondContact OG-O 3.19Å; V358-A360 VanDerWaalsContact C-N 3.32Å; V358-A360 PolarHBondContact O-N 3.11Å; V358-P361 HydrophobicContact CG1-CB 3.99Å; V358-E364 HydrophobicContact CG1-CB 4.15Å; V358-E364 HydrophobicContact CG1-CG 4.34Å | ||
| 359 | V | 70.2 | Confident | 77.9 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -64.9 | -31.8 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 113 | S351 D352 F353 W421 | S351-V359 CarbonylContact C-O 3.43Å; S351-V359 WeakPolarHBondContact CA-O 3.35Å; S351-V359 WeakPolarHBondContact CB-O 3.46Å; D352-V359 PolarHBondContact N-O 2.98Å; F353-V359 HydrophobicContact CE1-CG1 4.21Å; V359-W421 HydrophobicContact CG1-CH2 4.47Å |
| 360 | A | 79.5 | Confident | 78.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | trans | -136 | 78.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V358 V362 R363 E364 | V358-A360 VanDerWaalsContact C-N 3.32Å; V358-A360 PolarHBondContact O-N 3.11Å; A360-V362 VanDerWaalsContact C-N 3.31Å; A360-V362 PolarHBondContact O-N 2.94Å; A360-R363 HydrophobicContact CB-CB 4Å; A360-R363 HydrophobicContact CB-CG 4.39Å; A360-R363 PolarHBondContact O-N 3.37Å; A360-R363 VanDerWaalsContact O-N 3.16Å; A360-E364 WeakPolarHBondContact O-CB 3.37Å; A360-E364 PolarHBondContact O-N 3.3Å | ||
| 361 | P | 85.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -30.3 | -167.5 | 21.8 | -32.1 | 0 | 0 | 0 | 114.1 | W55 W292 L350 D352 V358 T365 | W55-P361 HydrophobicContact CH2-CB 3.97Å; W55-P361 HydrophobicContact CZ3-CB 3.77Å; W292-P361 HydrophobicContact CE3-CG 4.22Å; W292-P361 HydrophobicContact CH2-CG 4.38Å; W292-P361 HydrophobicContact CZ3-CB 4.21Å; W292-P361 HydrophobicContact CZ3-CG 3.73Å; L350-P361 HydrophobicContact CD2-CG 3.65Å; D352-P361 HydrophobicContact CB-CG 4.35Å; V358-P361 HydrophobicContact CG1-CB 3.99Å; P361-T365 VanDerWaalsContact O-CB 3.3Å; P361-T365 WeakPolarHBondContact O-CB 3.37Å; P361-T365 PolarHBondContact O-N 3.39Å; P361-T365 PolarHBondContact O-OG1 2.86Å |
| 362 | V | 89.7 | Confident | 80 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.1 | -49 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | W292 R295 H296 T344 D348 L350 A360 E364 T365 A366 | W292-V362 HydrophobicContact CB-CG2 4.33Å; W292-V362 HydrophobicContact CE3-CG2 4.18Å; R295-V362 HydrophobicContact CB-CG1 3.82Å; R295-V362 HydrophobicContact CB-CG2 3.98Å; H296-V362 HydrophobicContact CB-CG2 4.18Å; T344-V362 HydrophobicContact CG2-CG1 4.36Å; D348-V362 HydrophobicContact CB-CG1 4.35Å; D348-V362 WeakPolarHBondContact OD1-CG1 3.44Å; L350-V362 HydrophobicContact CD2-CB 4.42Å; L350-V362 HydrophobicContact CD2-CG2 3.74Å; A360-V362 VanDerWaalsContact C-N 3.31Å; A360-V362 PolarHBondContact O-N 2.94Å; V362-E364 PolarHBondContact O-N 2.87Å; V362-T365 PolarHBondContact O-N 3.36Å; V362-A366 VanDerWaalsContact O-CB 3.29Å; V362-A366 WeakPolarHBondContact O-CB 3.36Å; V362-A366 PolarHBondContact O-N 3.37Å |
| 363 | R | 90.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.7 | -62.5 | -160.1 | -70.2 | -66 | -2.6 | 112.4 | L345 D348 L350 S351 A360 A366 A367 M422 L429 | L345-R363 HydrophobicContact CD2-CB 4.21Å; L345-R363 VanDerWaalsContact CD2-O 3.26Å; L345-R363 WeakPolarHBondContact CD2-O 3.31Å; D348-R363 HydrophobicContact CB-CG 4.06Å; D348-R363 WeakPolarHBondContact O-CD 3.45Å; D348-R363 PolarHBondContact O-NH1 2.95Å; D348-R363 IonicContact OD2-NH1 3.88Å; D348-R363 PolarHBondContact OD2-NH1 3.31Å; L350-R363 PolarHBondContact O-NH1 3.29Å; S351-R363 PolarHBondContact OG-NH2 3Å; A360-R363 HydrophobicContact CB-CB 4Å; A360-R363 HydrophobicContact CB-CG 4.39Å; A360-R363 PolarHBondContact O-N 3.37Å; A360-R363 VanDerWaalsContact O-N 3.16Å; R363-A366 PolarHBondContact O-N 2.96Å; R363-A367 VanDerWaalsContact O-CB 3.29Å; R363-A367 WeakPolarHBondContact O-CB 3.48Å; R363-A367 PolarHBondContact O-N 3.42Å; R363-M422 PolarHBondContact NE-O 2.94Å; R363-L429 HydrophobicContact CB-CD1 4.08Å |
| 364 | E | 89 | Confident | 82.1 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.8 | -173.5 | 78.2 | 165.3 | 0 | 0 | 111.5 | V358 A360 V362 A367 Q368 L429 K432 Y433 | V358-E364 HydrophobicContact CG1-CB 4.15Å; V358-E364 HydrophobicContact CG1-CG 4.34Å; A360-E364 WeakPolarHBondContact O-CB 3.37Å; A360-E364 PolarHBondContact O-N 3.3Å; V362-E364 PolarHBondContact O-N 2.87Å; E364-A367 PolarHBondContact O-N 3.02Å; E364-Q368 VanDerWaalsContact O-CG 3.3Å; E364-Q368 WeakPolarHBondContact O-CG 3.26Å; E364-Q368 PolarHBondContact O-N 3.47Å; E364-L429 HydrophobicContact CB-CD1 4.27Å; E364-L429 WeakPolarHBondContact OE2-CD1 3.44Å; E364-L429 WeakPolarHBondContact OE2-CD2 3.1Å; E364-K432 VanDerWaalsContact CD-NZ 3.25Å; E364-K432 IonicContact OE1-NZ 3.13Å; E364-K432 PolarHBondContact OE1-NZ 3.47Å; E364-K432 IonicContact OE2-NZ 3.23Å; E364-K432 PolarHBondContact OE2-NZ 2.92Å; E364-K432 VanDerWaalsContact OE2-NZ 3.08Å; E364-Y433 HydrophobicContact CG-CE2 4.39Å; E364-Y433 PolarHBondContact OE1-OH 3.32Å |
| 365 | T | 91.7 | Very high | 83.5 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.6 | -38.5 | 179.2 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | A299 P361 V362 A367 Q368 L369 | A299-T365 HydrophobicContact CB-CG2 3.59Å; P361-T365 VanDerWaalsContact O-CB 3.3Å; P361-T365 WeakPolarHBondContact O-CB 3.37Å; P361-T365 PolarHBondContact O-N 3.39Å; P361-T365 PolarHBondContact O-OG1 2.86Å; V362-T365 PolarHBondContact O-N 3.36Å; T365-A367 VanDerWaalsContact C-N 3.35Å; T365-Q368 WeakPolarHBondContact O-CB 3.48Å; T365-Q368 PolarHBondContact O-N 3.27Å; T365-L369 PolarHBondContact O-N 2.98Å |
| 366 | A | 93.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V341 L345 V362 R363 L369 L370 | V341-A366 HydrophobicContact CG1-CB 4.37Å; V341-A366 VanDerWaalsContact CG1-O 3.29Å; V341-A366 WeakPolarHBondContact CG1-O 3.36Å; L345-A366 HydrophobicContact CD2-CB 3.9Å; L345-A366 HydrophobicContact CG-CB 4.22Å; V362-A366 VanDerWaalsContact O-CB 3.29Å; V362-A366 WeakPolarHBondContact O-CB 3.36Å; V362-A366 PolarHBondContact O-N 3.37Å; R363-A366 PolarHBondContact O-N 2.96Å; A366-L369 WeakPolarHBondContact O-CB 3.42Å; A366-L369 PolarHBondContact O-N 3.04Å; A366-L370 PolarHBondContact O-N 3.43Å |
| 367 | A | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.4 | -35.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L345 R363 E364 T365 L370 G371 L429 Y433 | L345-A367 HydrophobicContact CD2-CB 4.08Å; R363-A367 VanDerWaalsContact O-CB 3.29Å; R363-A367 WeakPolarHBondContact O-CB 3.48Å; R363-A367 PolarHBondContact O-N 3.42Å; E364-A367 PolarHBondContact O-N 3.02Å; T365-A367 VanDerWaalsContact C-N 3.35Å; A367-L370 WeakPolarHBondContact O-CB 3.43Å; A367-L370 PolarHBondContact O-N 2.87Å; A367-G371 PolarHBondContact O-N 3.36Å; A367-L429 HydrophobicContact CB-CB 3.74Å; A367-Y433 HydrophobicContact CB-CD2 3.65Å; A367-Y433 HydrophobicContact CB-CE2 4.31Å; A367-Y433 VanDerWaalsContact O-CB 3.25Å; A367-Y433 WeakPolarHBondContact O-CB 3.26Å |
| 368 | Q | 92.8 | Very high | 87.9 | Confident | 50 Ų | 50 | 18.2 Ų | 18.2 | 23% | 0.234 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 170 | -73.4 | 170.7 | 16.4 | 0 | 0 | 112.1 | E364 T365 G371 V372 Y433 | E364-Q368 VanDerWaalsContact O-CG 3.3Å; E364-Q368 WeakPolarHBondContact O-CG 3.26Å; E364-Q368 PolarHBondContact O-N 3.47Å; T365-Q368 WeakPolarHBondContact O-CB 3.48Å; T365-Q368 PolarHBondContact O-N 3.27Å; Q368-G371 WeakPolarHBondContact O-CA 3.42Å; Q368-G371 PolarHBondContact O-N 3.28Å; Q368-V372 PolarHBondContact O-N 2.87Å; Q368-Y433 HydrophobicContact CG-CD1 3.92Å; Q368-Y433 HydrophobicContact CG-CD2 4.18Å; Q368-Y433 HydrophobicContact CG-CE1 3.45Å; Q368-Y433 VanDerWaalsContact CG-CE1 3.45Å; Q368-Y433 HydrophobicContact CG-CE2 3.71Å; Q368-Y433 HydrophobicContact CG-CG 4.26Å; Q368-Y433 PolarHBondContact NE2-OH 2.93Å |
| 369 | L | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 173.1 | 168.3 | 59.5 | 0 | 0 | 0 | 111.4 | L302 R303 L306 V341 T365 A366 G371 V372 L373 | L302-L369 HydrophobicContact CB-CD1 4.04Å; L302-L369 HydrophobicContact CB-CD2 3.68Å; L302-L369 HydrophobicContact CD1-CD2 4.1Å; R303-L369 HydrophobicContact CB-CB 4.32Å; L306-L369 HydrophobicContact CD1-CD1 4.29Å; V341-L369 HydrophobicContact CG2-CD2 3.59Å; V341-L369 HydrophobicContact CG2-CG 4.04Å; T365-L369 PolarHBondContact O-N 2.98Å; A366-L369 WeakPolarHBondContact O-CB 3.42Å; A366-L369 PolarHBondContact O-N 3.04Å; L369-G371 VanDerWaalsContact C-N 3.29Å; L369-G371 PolarHBondContact O-N 3.28Å; L369-V372 PolarHBondContact O-N 2.9Å; L369-V372 VanDerWaalsContact O-N 3.16Å; L369-L373 HydrophobicContact CD1-CD1 3.87Å; L369-L373 HydrophobicContact CD1-CG 4.05Å; L369-L373 HydrophobicContact CG-CD1 3.92Å; L369-L373 WeakPolarHBondContact O-CG 3.29Å; L369-L373 PolarHBondContact O-N 3.37Å |
| 370 | L | 93.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 173.1 | -171 | 63 | 0 | 0 | 0 | 112.1 | V338 V341 L342 L345 A366 A367 L373 S374 V385 L389 | V338-L370 HydrophobicContact CG1-CD1 3.96Å; V338-L370 HydrophobicContact CG2-CD1 4.43Å; V341-L370 HydrophobicContact CG1-CB 4.02Å; V341-L370 HydrophobicContact CG1-CD1 4.48Å; L342-L370 HydrophobicContact CD2-CD2 4.05Å; L345-L370 HydrophobicContact CD1-CD2 3.96Å; A366-L370 PolarHBondContact O-N 3.43Å; A367-L370 WeakPolarHBondContact O-CB 3.43Å; A367-L370 PolarHBondContact O-N 2.87Å; L370-L373 PolarHBondContact O-N 3.33Å; L370-S374 WeakPolarHBondContact O-CB 3.25Å; L370-S374 PolarHBondContact O-N 3.23Å; L370-V385 HydrophobicContact CD1-CG1 4.1Å; L370-V385 HydrophobicContact CD2-CG1 4.08Å; L370-V385 HydrophobicContact CG-CG1 4.38Å; L370-L389 HydrophobicContact CD2-CD1 4.07Å; L370-L389 HydrophobicContact CD2-CD2 4.13Å |
| 371 | G | 90.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A367 Q368 L369 S374 S437 | A367-G371 PolarHBondContact O-N 3.36Å; Q368-G371 WeakPolarHBondContact O-CA 3.42Å; Q368-G371 PolarHBondContact O-N 3.28Å; L369-G371 VanDerWaalsContact C-N 3.29Å; L369-G371 PolarHBondContact O-N 3.28Å; G371-S374 PolarHBondContact O-OG 3.06Å; G371-S437 WeakPolarHBondContact O-CB 3.43Å; G371-S437 PolarHBondContact O-OG 3.41Å |
| 372 | V | 91.9 | Very high | 91 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 15% | 0.152 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -49.8 | 174 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | R303 L306 Q368 L369 S374 L375 | R303-V372 HydrophobicContact CG-CG2 3.96Å; L306-V372 WeakPolarHBondContact O-CG1 3.2Å; Q368-V372 PolarHBondContact O-N 2.87Å; L369-V372 PolarHBondContact O-N 2.9Å; L369-V372 VanDerWaalsContact O-N 3.16Å; V372-S374 VanDerWaalsContact C-N 3.25Å; V372-S374 PolarHBondContact O-N 3.04Å; V372-L375 WeakPolarHBondContact O-CB 3.42Å; V372-L375 PolarHBondContact O-N 3.41Å; V372-L375 VanDerWaalsContact O-N 3.14Å |
| 373 | L | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.6 | -37.6 | 179.2 | -71 | 163.6 | 0 | 0 | 0 | 112.4 | L306 L334 I337 V338 V341 L369 L370 L375 H376 L377 | L306-L373 HydrophobicContact CD1-CD2 3.89Å; L334-L373 HydrophobicContact CD2-CD2 4.25Å; I337-L373 HydrophobicContact CG2-CD1 3.62Å; I337-L373 HydrophobicContact CG2-CD2 3.92Å; I337-L373 HydrophobicContact CG2-CG 4.44Å; V338-L373 HydrophobicContact CG2-CB 4.07Å; V338-L373 HydrophobicContact CG2-CD1 3.99Å; V338-L373 HydrophobicContact CG2-CG 4.48Å; V341-L373 HydrophobicContact CG2-CD1 4.27Å; L369-L373 HydrophobicContact CD1-CD1 3.87Å; L369-L373 HydrophobicContact CD1-CG 4.05Å; L369-L373 HydrophobicContact CG-CD1 3.92Å; L369-L373 WeakPolarHBondContact O-CG 3.29Å; L369-L373 PolarHBondContact O-N 3.37Å; L370-L373 PolarHBondContact O-N 3.33Å; L373-L375 PolarHBondContact O-N 2.95Å; L373-L375 VanDerWaalsContact O-N 3.09Å; L373-H376 PolarHBondContact O-N 3.05Å; L373-L377 PolarHBondContact O-N 3.18Å |
| 374 | S | 90.7 | Very high | 91 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.6 | 179.7 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | L370 G371 V372 H376 S437 R438 | L370-S374 WeakPolarHBondContact O-CB 3.25Å; L370-S374 PolarHBondContact O-N 3.23Å; G371-S374 PolarHBondContact O-OG 3.06Å; V372-S374 VanDerWaalsContact C-N 3.25Å; V372-S374 PolarHBondContact O-N 3.04Å; S374-H376 VanDerWaalsContact C-N 3.25Å; S374-H376 PolarHBondContact O-N 3.15Å; S374-S437 PolarHBondContact OG-OG 3.19Å; S374-R438 WeakPolarHBondContact O-CD 3.41Å; S374-R438 PolarHBondContact O-NH1 2.86Å |
| 375 | L | 89.9 | Confident | 91.1 | Very high | 100 Ų | 100 | 28.3 Ų | 28.3 | 52% | 0.524 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -15.8 | 173.6 | -61.7 | 174.3 | 0 | 0 | 0 | 113 | V372 L373 | V372-L375 WeakPolarHBondContact O-CB 3.42Å; V372-L375 PolarHBondContact O-N 3.41Å; V372-L375 VanDerWaalsContact O-N 3.14Å; L373-L375 PolarHBondContact O-N 2.95Å; L373-L375 VanDerWaalsContact O-N 3.09Å |
| 376 | H | 89.2 | Confident | 91 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 12% | 0.116 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -15.7 | -178.7 | -60 | -62.1 | 0 | 0 | 0 | 113.6 | T312 L334 L373 S374 | T312-H376 HydrophobicContact CG2-CB 4.45Å; L334-H376 HydrophobicContact CD1-CB 3.81Å; L373-H376 PolarHBondContact O-N 3.05Å; S374-H376 VanDerWaalsContact C-N 3.25Å; S374-H376 PolarHBondContact O-N 3.15Å |
| 377 | L | 90 | Very high | 90.9 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -76.8 | 149.5 | 176.3 | -65.3 | 178.8 | 0 | 0 | 0 | 112.8 | L334 V338 L373 Q381 V382 V385 R438 | L334-L377 HydrophobicContact CB-CD2 4Å; L334-L377 HydrophobicContact CD1-CD2 4.44Å; V338-L377 HydrophobicContact CG1-CD1 4.5Å; V338-L377 HydrophobicContact CG2-CD1 3.97Å; V338-L377 HydrophobicContact CG2-CD2 4.21Å; V338-L377 HydrophobicContact CG2-CG 4.48Å; L373-L377 PolarHBondContact O-N 3.18Å; L377-Q381 HydrophobicContact CB-CB 3.98Å; L377-Q381 HydrophobicContact CD1-CB 4.46Å; L377-Q381 HydrophobicContact CD2-CB 4.2Å; L377-Q381 HydrophobicContact CG-CB 4.44Å; L377-V382 HydrophobicContact CB-CG2 3.8Å; L377-V382 HydrophobicContact CD1-CG2 4.43Å; L377-V385 HydrophobicContact CD1-CG2 3.92Å; L377-R438 PolarHBondContact O-NH1 3.47Å |
| 378 | T | 89.6 | Confident | 90.7 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | trans | -67 | 159.8 | 170.1 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | Y331 E380 Q381 V382 | Y331-T378 HydrophobicContact CD1-CG2 4.07Å; Y331-T378 HydrophobicContact CE1-CG2 3.6Å; T378-E380 PolarHBondContact O-N 3.04Å; T378-Q381 PolarHBondContact O-N 3.48Å; T378-Q381 VanDerWaalsContact O-N 3.17Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.35Å; T378-Q381 PolarHBondContact OG1-N 3.16Å; T378-V382 WeakPolarHBondContact O-CG2 3.48Å; T378-V382 PolarHBondContact O-N 3.36Å | ||
| 379 | T | 89.7 | Confident | 90.6 | Very high | 61 Ų | 61 | 33.5 Ų | 33.5 | 37% | 0.374 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.8 | -35.1 | 177.3 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | V382 L383 L441 | T379-V382 PolarHBondContact O-N 3.41Å; T379-L383 HydrophobicContact CG2-CD1 4.47Å; T379-L383 WeakPolarHBondContact O-CG 3.48Å; T379-L383 PolarHBondContact O-N 3.29Å; T379-L441 HydrophobicContact CG2-CD1 4.01Å; T379-L441 HydrophobicContact CG2-CD2 3.82Å |
| 380 | E | 89 | Confident | 90.3 | Very high | 153 Ų | 153 | 35.3 Ų | 35.3 | 72% | 0.715 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -68.4 | -44.3 | 176.2 | -62.4 | -172.7 | 165.4 | 0 | 0 | 112 | T378 V382 L383 L384 | T378-E380 PolarHBondContact O-N 3.04Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-V382 PolarHBondContact O-N 3.13Å; E380-L383 PolarHBondContact O-N 3.18Å; E380-L384 WeakPolarHBondContact O-CG 3.31Å; E380-L384 PolarHBondContact O-N 2.96Å |
| 381 | Q | 90 | Very high | 89.9 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.1 | -73.2 | 172.5 | -32.4 | 0 | 0 | 111.4 | E335 L377 T378 L383 L384 V385 | E335-Q381 PolarHBondContact OE1-NE2 2.91Å; L377-Q381 HydrophobicContact CB-CB 3.98Å; L377-Q381 HydrophobicContact CD1-CB 4.46Å; L377-Q381 HydrophobicContact CD2-CB 4.2Å; L377-Q381 HydrophobicContact CG-CB 4.44Å; T378-Q381 PolarHBondContact O-N 3.48Å; T378-Q381 VanDerWaalsContact O-N 3.17Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.35Å; T378-Q381 PolarHBondContact OG1-N 3.16Å; Q381-L383 VanDerWaalsContact C-N 3.32Å; Q381-L383 PolarHBondContact O-N 3.17Å; Q381-L384 WeakPolarHBondContact O-CB 3.49Å; Q381-L384 PolarHBondContact O-N 3.24Å; Q381-L384 VanDerWaalsContact O-N 3.14Å; Q381-V385 WeakPolarHBondContact O-CG2 3.39Å; Q381-V385 PolarHBondContact O-N 3.19Å |
| 382 | V | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.4 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | L377 T378 T379 E380 V385 T386 L434 L441 L445 | L377-V382 HydrophobicContact CB-CG2 3.8Å; L377-V382 HydrophobicContact CD1-CG2 4.43Å; T378-V382 WeakPolarHBondContact O-CG2 3.48Å; T378-V382 PolarHBondContact O-N 3.36Å; T379-V382 PolarHBondContact O-N 3.41Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-V382 PolarHBondContact O-N 3.13Å; V382-V385 PolarHBondContact O-N 3.35Å; V382-T386 WeakPolarHBondContact O-CB 3.44Å; V382-T386 PolarHBondContact O-N 3.13Å; V382-T386 PolarHBondContact O-OG1 3.4Å; V382-L434 HydrophobicContact CG1-CD1 4.12Å; V382-L441 HydrophobicContact CB-CD1 4.29Å; V382-L441 HydrophobicContact CG1-CD1 3.87Å; V382-L445 HydrophobicContact CG1-CD1 4.34Å; V382-L445 HydrophobicContact CG1-CD2 4.13Å |
| 383 | L | 90 | Very high | 89.3 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 174 | -73.2 | 167.6 | 0 | 0 | 0 | 112.4 | T379 E380 Q381 T386 K387 T444 L445 | T379-L383 HydrophobicContact CG2-CD1 4.47Å; T379-L383 WeakPolarHBondContact O-CG 3.48Å; T379-L383 PolarHBondContact O-N 3.29Å; E380-L383 PolarHBondContact O-N 3.18Å; Q381-L383 VanDerWaalsContact C-N 3.32Å; Q381-L383 PolarHBondContact O-N 3.17Å; L383-T386 WeakPolarHBondContact O-CB 3.27Å; L383-T386 PolarHBondContact O-N 3.28Å; L383-K387 WeakPolarHBondContact O-CG 2.93Å; L383-K387 PolarHBondContact O-N 3.09Å; L383-T444 HydrophobicContact CD1-CG2 4.36Å; L383-T444 HydrophobicContact CD2-CG2 4.15Å; L383-L445 HydrophobicContact CD2-CD2 4.02Å |
| 384 | L | 89.8 | Confident | 88.6 | Confident | 51 Ų | 51 | 40.2 Ų | 40.2 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 172.2 | -70.8 | 173.2 | 0 | 0 | 0 | 111.9 | L98 E380 Q381 T386 K387 H388 | L98-L384 HydrophobicContact CD2-CB 3.6Å; L98-L384 HydrophobicContact CD2-CD1 4.42Å; L98-L384 HydrophobicContact CG-CB 3.96Å; E380-L384 WeakPolarHBondContact O-CG 3.31Å; E380-L384 PolarHBondContact O-N 2.96Å; Q381-L384 WeakPolarHBondContact O-CB 3.49Å; Q381-L384 PolarHBondContact O-N 3.24Å; Q381-L384 VanDerWaalsContact O-N 3.14Å; L384-T386 VanDerWaalsContact C-N 3.27Å; L384-T386 PolarHBondContact O-N 3.45Å; L384-K387 PolarHBondContact O-N 3.37Å; L384-H388 PolarHBondContact O-N 3.38Å; L384-H388 VanDerWaalsContact O-N 3.11Å; L384-H388 PolarHBondContact O-ND1 3.09Å |
| 385 | V | 91.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.4 | -45.3 | 172.6 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | L98 V338 L342 L370 L377 Q381 V382 K387 H388 L389 L434 | L98-V385 HydrophobicContact CD1-CG2 4.35Å; L98-V385 HydrophobicContact CD2-CG2 3.65Å; V338-V385 HydrophobicContact CG1-CG2 3.48Å; V338-V385 VanDerWaalsContact CG1-CG2 3.48Å; L342-V385 HydrophobicContact CD2-CG1 4.38Å; L370-V385 HydrophobicContact CD1-CG1 4.1Å; L370-V385 HydrophobicContact CD2-CG1 4.08Å; L370-V385 HydrophobicContact CG-CG1 4.38Å; L377-V385 HydrophobicContact CD1-CG2 3.92Å; Q381-V385 WeakPolarHBondContact O-CG2 3.39Å; Q381-V385 PolarHBondContact O-N 3.19Å; V382-V385 PolarHBondContact O-N 3.35Å; V385-K387 VanDerWaalsContact C-N 3.33Å; V385-K387 PolarHBondContact O-N 2.99Å; V385-H388 PolarHBondContact O-N 3.21Å; V385-L389 HydrophobicContact CG1-CD1 3.85Å; V385-L389 HydrophobicContact CG1-CG 4.24Å; V385-L389 WeakPolarHBondContact O-CG 3.5Å; V385-L389 PolarHBondContact O-N 3.12Å; V385-L434 HydrophobicContact CG1-CD2 4.49Å |
| 386 | T | 90.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 178.4 | -54 | 0 | 0 | 0 | 0 | 111.7 | V382 L383 L384 L389 I390 L434 L445 V449 | V382-T386 WeakPolarHBondContact O-CB 3.44Å; V382-T386 PolarHBondContact O-N 3.13Å; V382-T386 PolarHBondContact O-OG1 3.4Å; L383-T386 WeakPolarHBondContact O-CB 3.27Å; L383-T386 PolarHBondContact O-N 3.28Å; L384-T386 VanDerWaalsContact C-N 3.27Å; L384-T386 PolarHBondContact O-N 3.45Å; T386-L389 PolarHBondContact O-N 3.28Å; T386-I390 HydrophobicContact CG2-CD1 3.84Å; T386-I390 HydrophobicContact CG2-CG1 4.44Å; T386-I390 WeakPolarHBondContact O-CB 2.89Å; T386-I390 VanDerWaalsContact O-CG1 3.25Å; T386-I390 WeakPolarHBondContact O-CG1 3.12Å; T386-I390 PolarHBondContact O-N 3.41Å; T386-L434 WeakPolarHBondContact OG1-CD2 3.26Å; T386-L445 HydrophobicContact CG2-CD2 4.25Å; T386-L445 WeakPolarHBondContact OG1-CD2 3.25Å; T386-V449 HydrophobicContact CG2-CG2 3.51Å |
| 387 | K | 89.7 | Confident | 85.1 | Confident | 140 Ų | 140 | 42.3 Ų | 42.3 | 61% | 0.609 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.1 | -43.5 | 175 | -73.3 | 173.2 | -177.8 | 178.4 | 0 | 112.6 | L383 L384 V385 I390 F391 | L383-K387 WeakPolarHBondContact O-CG 2.93Å; L383-K387 PolarHBondContact O-N 3.09Å; L384-K387 PolarHBondContact O-N 3.37Å; V385-K387 VanDerWaalsContact C-N 3.33Å; V385-K387 PolarHBondContact O-N 2.99Å; K387-I390 PolarHBondContact O-N 3.28Å; K387-F391 PolarHBondContact O-N 3.42Å |
| 388 | H | 90.2 | Very high | 83.7 | Confident | 24 Ų | 24 | 48 Ų | 48 | 11% | 0.111 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 177.6 | -69.6 | 88.5 | 0 | 0 | 0 | 112 | L98 L101 L342 L384 V385 F391 L392 | L98-H388 PolarHBondContact O-CE1 2.66Å; L101-H388 PolarHBondContact O-NE2 3.31Å; L342-H388 HydrophobicContact CD1-CB 4.16Å; L384-H388 PolarHBondContact O-N 3.38Å; L384-H388 VanDerWaalsContact O-N 3.11Å; L384-H388 PolarHBondContact O-ND1 3.09Å; V385-H388 PolarHBondContact O-N 3.21Å; H388-F391 WeakPolarHBondContact O-CB 3.49Å; H388-F391 PolarHBondContact O-N 3.33Å; H388-L392 WeakPolarHBondContact O-CG 3.46Å; H388-L392 PolarHBondContact O-N 3.01Å |
| 389 | L | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 174.4 | -68 | 172.1 | 0 | 0 | 0 | 111.7 | L342 L345 L370 V385 T386 F391 L392 V393 I431 L434 | L342-L389 HydrophobicContact CD2-CD2 3.59Å; L342-L389 HydrophobicContact CD2-CG 3.96Å; L345-L389 HydrophobicContact CD1-CD2 4.42Å; L370-L389 HydrophobicContact CD2-CD1 4.07Å; L370-L389 HydrophobicContact CD2-CD2 4.13Å; V385-L389 HydrophobicContact CG1-CD1 3.85Å; V385-L389 HydrophobicContact CG1-CG 4.24Å; V385-L389 WeakPolarHBondContact O-CG 3.5Å; V385-L389 PolarHBondContact O-N 3.12Å; T386-L389 PolarHBondContact O-N 3.28Å; L389-F391 VanDerWaalsContact C-N 3.27Å; L389-F391 PolarHBondContact O-N 2.98Å; L389-L392 PolarHBondContact O-N 2.79Å; L389-V393 VanDerWaalsContact O-CG2 3.31Å; L389-V393 WeakPolarHBondContact O-CG2 3.39Å; L389-V393 PolarHBondContact O-N 3.25Å; L389-I431 HydrophobicContact CB-CD1 4.25Å; L389-I431 HydrophobicContact CB-CG1 3.83Å; L389-I431 HydrophobicContact CD1-CG1 4.09Å; L389-L434 HydrophobicContact CD1-CD2 4.11Å |
| 390 | I | 86.7 | Confident | 80.9 | Confident | 39 Ų | 39 | 46 Ų | 46 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | 173.7 | -71.2 | 166 | 0 | 0 | 0 | 110.5 | T386 K387 V393 S394 H448 V449 C452 | T386-I390 HydrophobicContact CG2-CD1 3.84Å; T386-I390 HydrophobicContact CG2-CG1 4.44Å; T386-I390 WeakPolarHBondContact O-CB 2.89Å; T386-I390 VanDerWaalsContact O-CG1 3.25Å; T386-I390 WeakPolarHBondContact O-CG1 3.12Å; T386-I390 PolarHBondContact O-N 3.41Å; K387-I390 PolarHBondContact O-N 3.28Å; I390-V393 CarbonylContact O-C 3.49Å; I390-V393 PolarHBondContact O-N 2.89Å; I390-S394 VanDerWaalsContact O-CB 3.28Å; I390-S394 WeakPolarHBondContact O-CB 3.46Å; I390-S394 PolarHBondContact O-N 2.81Å; I390-S394 PolarHBondContact O-OG 2.9Å; I390-H448 HydrophobicContact CD1-CB 4.12Å; I390-H448 WeakPolarHBondContact CD1-O 3.33Å; I390-V449 HydrophobicContact CD1-CG2 4.26Å; I390-C452 HydrophobicContact CG1-CB 4.41Å; I390-C452 HydrophobicContact CG2-CB 4.39Å |
| 391 | F | 85.8 | Confident | 79.3 | Confident | 72 Ų | 72 | 41 Ų | 41 | 32% | 0.316 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.4 | -51.9 | 175 | -178.9 | -93.7 | 0 | 0 | 0 | 111.6 | I103 D104 K387 H388 L389 V393 S394 L395 | I103-F391 HydrophobicContact CG2-CD1 3.36Å; I103-F391 HydrophobicContact CG2-CE1 3.62Å; I103-F391 HydrophobicContact CG2-CG 4.26Å; D104-F391 HydrophobicContact CB-CE1 4.41Å; D104-F391 HydrophobicContact CB-CZ 4.1Å; K387-F391 PolarHBondContact O-N 3.42Å; H388-F391 WeakPolarHBondContact O-CB 3.49Å; H388-F391 PolarHBondContact O-N 3.33Å; L389-F391 VanDerWaalsContact C-N 3.27Å; L389-F391 PolarHBondContact O-N 2.98Å; F391-V393 VanDerWaalsContact C-N 3.26Å; F391-V393 PolarHBondContact O-N 3.34Å; F391-S394 WeakPolarHBondContact CA-OG 3.48Å; F391-S394 PolarHBondContact O-N 2.74Å; F391-S394 PolarHBondContact O-OG 3.1Å; F391-L395 HydrophobicContact CD1-CD1 4.39Å; F391-L395 HydrophobicContact CD1-CG 4.49Å; F391-L395 HydrophobicContact CE1-CD1 4.08Å; F391-L395 HydrophobicContact CE1-CD2 3.93Å; F391-L395 HydrophobicContact CE1-CG 4.17Å; F391-L395 HydrophobicContact CZ-CD2 3.88Å; F391-L395 PolarHBondContact O-N 2.93Å |
| 392 | L | 85.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.4 | -40.2 | 177.1 | -68.2 | 178.3 | 0 | 0 | 0 | 112.6 | I103 L107 A346 H388 L389 L395 I423 | I103-L392 HydrophobicContact CD1-CD1 3.95Å; I103-L392 HydrophobicContact CD1-CD2 3.63Å; I103-L392 HydrophobicContact CD1-CG 3.85Å; I103-L392 HydrophobicContact CG1-CD2 4.02Å; L107-L392 HydrophobicContact CD1-CD2 3.97Å; A346-L392 HydrophobicContact CB-CD1 4.21Å; A346-L392 HydrophobicContact CB-CD2 3.73Å; H388-L392 WeakPolarHBondContact O-CG 3.46Å; H388-L392 PolarHBondContact O-N 3.01Å; L389-L392 PolarHBondContact O-N 2.79Å; L392-L395 HydrophobicContact CD2-CD1 4.39Å; L392-I423 HydrophobicContact CB-CG2 4.26Å; L392-I423 HydrophobicContact CD2-CG2 3.7Å |
| 393 | V | 83.9 | Confident | 76.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.7 | -23.1 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | L389 I390 F391 G427 L428 I431 C452 R456 | L389-V393 VanDerWaalsContact O-CG2 3.31Å; L389-V393 WeakPolarHBondContact O-CG2 3.39Å; L389-V393 PolarHBondContact O-N 3.25Å; I390-V393 CarbonylContact O-C 3.49Å; I390-V393 PolarHBondContact O-N 2.89Å; F391-V393 VanDerWaalsContact C-N 3.26Å; F391-V393 PolarHBondContact O-N 3.34Å; V393-G427 VanDerWaalsContact CG2-C 3.4Å; V393-L428 HydrophobicContact CG1-CD2 3.76Å; V393-L428 HydrophobicContact CG1-CG 3.91Å; V393-L428 HydrophobicContact CG2-CD2 4.08Å; V393-L428 HydrophobicContact CG2-CG 3.85Å; V393-I431 HydrophobicContact CG2-CD1 4.03Å; V393-C452 VanDerWaalsContact CB-SG 3.56Å; V393-C452 WeakPolarHBondContact CG1-SG 3.09Å; V393-R456 HydrophobicContact CG1-CB 4.47Å; V393-R456 HydrophobicContact CG1-CG 3.52Å; V393-R456 VanDerWaalsContact O-CZ 3.24Å; V393-R456 PolarHBondContact O-NE 3.05Å; V393-R456 PolarHBondContact O-NH2 3Å |
| 394 | S | 78.5 | Confident | 74.7 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 43% | 0.427 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -87 | -3.1 | 179.7 | 73.1 | 0 | 0 | 0 | 0 | 115.2 | I390 F391 N396 | I390-S394 VanDerWaalsContact O-CB 3.28Å; I390-S394 WeakPolarHBondContact O-CB 3.46Å; I390-S394 PolarHBondContact O-N 2.81Å; I390-S394 PolarHBondContact O-OG 2.9Å; F391-S394 WeakPolarHBondContact CA-OG 3.48Å; F391-S394 PolarHBondContact O-N 2.74Å; F391-S394 PolarHBondContact O-OG 3.1Å; S394-N396 PolarHBondContact O-N 2.85Å; S394-N396 PolarHBondContact O-OD1 3.24Å |
| 395 | L | 72.8 | Confident | 72.9 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | trans | -72.4 | 122.2 | -180 | -75.1 | 166.3 | 0 | 0 | 0 | 111.8 | L107 F391 L392 V400 L403 I423 R456 | L107-L395 HydrophobicContact CD1-CD1 3.33Å; F391-L395 HydrophobicContact CD1-CD1 4.39Å; F391-L395 HydrophobicContact CD1-CG 4.49Å; F391-L395 HydrophobicContact CE1-CD1 4.08Å; F391-L395 HydrophobicContact CE1-CD2 3.93Å; F391-L395 HydrophobicContact CE1-CG 4.17Å; F391-L395 HydrophobicContact CZ-CD2 3.88Å; F391-L395 PolarHBondContact O-N 2.93Å; L392-L395 HydrophobicContact CD2-CD1 4.39Å; L395-V400 HydrophobicContact CB-CG2 3.85Å; L395-V400 HydrophobicContact CD2-CG2 4.45Å; L395-L403 HydrophobicContact CD2-CD1 4Å; L395-I423 HydrophobicContact CD1-CG2 3.99Å; L395-R456 PolarHBondContact O-NH2 2.86Å | ||
| 396 | N | 64.2 | Low | 70.8 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | trans | -94.7 | 158.2 | 174.8 | -54.3 | -21.6 | 0 | 0 | 0 | 109.4 | S394 E398 T399 V400 | S394-N396 PolarHBondContact O-N 2.85Å; S394-N396 PolarHBondContact O-OD1 3.24Å; N396-E398 PolarHBondContact O-N 3.09Å; N396-E398 VanDerWaalsContact O-N 3.15Å; N396-T399 WeakPolarHBondContact CB-OG1 3.27Å; N396-T399 PolarHBondContact N-OG1 3.26Å; N396-T399 CarbonylContact O-C 3.53Å; N396-T399 WeakPolarHBondContact O-CA 3.48Å; N396-T399 WeakPolarHBondContact O-CB 3.46Å; N396-T399 PolarHBondContact O-N 2.99Å; N396-T399 PolarHBondContact O-OG1 3.44Å; N396-V400 PolarHBondContact O-N 3.13Å | ||
| 397 | D | 58.8 | Low | 68.4 | Low | 79 Ų | 79 | 60 Ų | 60 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.1 | -39.9 | 178.5 | -63.2 | 11 | 0 | 0 | 0 | 112.2 | T399 V400 T401 S420 | D397-T399 VanDerWaalsContact C-N 3.35Å; D397-T399 PolarHBondContact O-N 2.94Å; D397-V400 PolarHBondContact O-N 3.49Å; D397-T401 WeakPolarHBondContact O-CB 3.45Å; D397-T401 PolarHBondContact O-N 3.23Å; D397-T401 PolarHBondContact O-OG1 3.23Å; D397-S420 WeakPolarHBondContact OD1-CB 2.93Å; D397-S420 PolarHBondContact OD1-OG 3.04Å |
| 398 | E | 60 | Low | 65.8 | Low | 128 Ų | 128 | 59 Ų | 59 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.8 | -34.5 | 177.1 | -156.1 | -166.5 | 163.2 | 0 | 0 | 112.3 | N396 K402 | N396-E398 PolarHBondContact O-N 3.09Å; N396-E398 VanDerWaalsContact O-N 3.15Å; E398-K402 VanDerWaalsContact CD-NZ 3.35Å; E398-K402 HydrophobicContact CG-CD 4.48Å; E398-K402 VanDerWaalsContact O-CB 3.3Å; E398-K402 WeakPolarHBondContact O-CB 3.38Å; E398-K402 VanDerWaalsContact O-CG 3.22Å; E398-K402 WeakPolarHBondContact O-CG 3.39Å; E398-K402 PolarHBondContact O-N 3.13Å; E398-K402 VanDerWaalsContact OE1-CE 3.24Å; E398-K402 WeakPolarHBondContact OE1-CE 3.42Å; E398-K402 IonicContact OE1-NZ 3.16Å; E398-K402 PolarHBondContact OE1-NZ 2.72Å |
| 399 | T | 62.5 | Low | 63.1 | Low | 60 Ų | 60 | 60 Ų | 60 | 37% | 0.368 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.5 | -44.4 | 176 | -12.8 | 0 | 0 | 0 | 0 | 111.2 | N396 D397 T401 K402 L403 | N396-T399 WeakPolarHBondContact CB-OG1 3.27Å; N396-T399 PolarHBondContact N-OG1 3.26Å; N396-T399 CarbonylContact O-C 3.53Å; N396-T399 WeakPolarHBondContact O-CA 3.48Å; N396-T399 WeakPolarHBondContact O-CB 3.46Å; N396-T399 PolarHBondContact O-N 2.99Å; N396-T399 PolarHBondContact O-OG1 3.44Å; D397-T399 VanDerWaalsContact C-N 3.35Å; D397-T399 PolarHBondContact O-N 2.94Å; T399-T401 VanDerWaalsContact C-N 3.35Å; T399-K402 PolarHBondContact O-N 3.36Å; T399-L403 WeakPolarHBondContact O-CB 3.11Å; T399-L403 VanDerWaalsContact O-CG 3.26Å; T399-L403 WeakPolarHBondContact O-CG 3.33Å; T399-L403 PolarHBondContact O-N 3Å |
| 400 | V | 59.4 | Low | 60.4 | Low | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | L395 N396 D397 L403 C404 I423 | L395-V400 HydrophobicContact CB-CG2 3.85Å; L395-V400 HydrophobicContact CD2-CG2 4.45Å; N396-V400 PolarHBondContact O-N 3.13Å; D397-V400 PolarHBondContact O-N 3.49Å; V400-L403 PolarHBondContact O-N 3.4Å; V400-C404 WeakPolarHBondContact O-CB 3.38Å; V400-C404 PolarHBondContact O-N 3.42Å; V400-C404 PolarHBondContact O-SG 3.11Å; V400-I423 HydrophobicContact CG1-CD1 4.13Å; V400-I423 HydrophobicContact CG2-CD1 4.15Å |
| 401 | T | 54.7 | Low | 57.8 | Low | 48 Ų | 48 | 74.1 Ų | 74.1 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | D397 T399 L403 C404 T405 | D397-T401 WeakPolarHBondContact O-CB 3.45Å; D397-T401 PolarHBondContact O-N 3.23Å; D397-T401 PolarHBondContact O-OG1 3.23Å; T399-T401 VanDerWaalsContact C-N 3.35Å; T401-L403 VanDerWaalsContact C-N 3.31Å; T401-L403 PolarHBondContact O-N 2.96Å; T401-C404 CarbonylContact O-C 3.58Å; T401-C404 PolarHBondContact O-N 2.76Å; T401-C404 VanDerWaalsContact O-N 3.1Å; T401-T405 HydrophobicContact CG2-CG2 3.77Å; T401-T405 WeakPolarHBondContact O-CB 3.41Å; T401-T405 VanDerWaalsContact O-CG2 3.28Å; T401-T405 WeakPolarHBondContact O-CG2 3.42Å; T401-T405 PolarHBondContact O-N 3.06Å; T401-T405 PolarHBondContact O-OG1 3.21Å |
| 402 | K | 60.2 | Low | 55.3 | Low | 120 Ų | 120 | 76.6 Ų | 76.6 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 176.5 | -78.9 | 169.8 | -177.1 | 166.9 | 0 | 113.6 | E398 T399 T405 | E398-K402 VanDerWaalsContact CD-NZ 3.35Å; E398-K402 HydrophobicContact CG-CD 4.48Å; E398-K402 VanDerWaalsContact O-CB 3.3Å; E398-K402 WeakPolarHBondContact O-CB 3.38Å; E398-K402 VanDerWaalsContact O-CG 3.22Å; E398-K402 WeakPolarHBondContact O-CG 3.39Å; E398-K402 PolarHBondContact O-N 3.13Å; E398-K402 VanDerWaalsContact OE1-CE 3.24Å; E398-K402 WeakPolarHBondContact OE1-CE 3.42Å; E398-K402 IonicContact OE1-NZ 3.16Å; E398-K402 PolarHBondContact OE1-NZ 2.72Å; T399-K402 PolarHBondContact O-N 3.36Å; K402-T405 WeakPolarHBondContact CA-OG1 3.11Å; K402-T405 PolarHBondContact O-OG1 3.14Å |
| 403 | L | 58.5 | Low | 52.9 | Low | 45 Ų | 45 | 84.4 Ų | 84.4 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 175.2 | -72.7 | 165.4 | 0 | 0 | 0 | 111.9 | D104 A108 L395 T399 V400 T401 | D104-L403 HydrophobicContact CB-CD2 4.24Å; A108-L403 WeakPolarHBondContact CB-O 3.34Å; L395-L403 HydrophobicContact CD2-CD1 4Å; T399-L403 WeakPolarHBondContact O-CB 3.11Å; T399-L403 VanDerWaalsContact O-CG 3.26Å; T399-L403 WeakPolarHBondContact O-CG 3.33Å; T399-L403 PolarHBondContact O-N 3Å; V400-L403 PolarHBondContact O-N 3.4Å; T401-L403 VanDerWaalsContact C-N 3.31Å; T401-L403 PolarHBondContact O-N 2.96Å |
| 404 | C | 55.7 | Low | 51 | Low | 42 Ų | 42 | 88.8 Ų | 88.8 | 28% | 0.284 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -83.5 | -25.3 | 180 | -60 | 0 | 0 | 0 | 0 | 113.9 | V400 T401 N406 | V400-C404 WeakPolarHBondContact O-CB 3.38Å; V400-C404 PolarHBondContact O-N 3.42Å; V400-C404 PolarHBondContact O-SG 3.11Å; T401-C404 CarbonylContact O-C 3.58Å; T401-C404 PolarHBondContact O-N 2.76Å; T401-C404 VanDerWaalsContact O-N 3.1Å; C404-N406 VanDerWaalsContact C-N 3.26Å; C404-N406 PolarHBondContact O-N 3.37Å |
| 405 | T | 50.8 | Low | 49.2 | Very low | 89 Ų | 89 | 89.8 Ų | 89.8 | 55% | 0.546 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.8 | -173.9 | 45.6 | 0 | 0 | 0 | 0 | 115.6 | T401 K402 I407 | T401-T405 HydrophobicContact CG2-CG2 3.77Å; T401-T405 WeakPolarHBondContact O-CB 3.41Å; T401-T405 VanDerWaalsContact O-CG2 3.28Å; T401-T405 WeakPolarHBondContact O-CG2 3.42Å; T401-T405 PolarHBondContact O-N 3.06Å; T401-T405 PolarHBondContact O-OG1 3.21Å; K402-T405 WeakPolarHBondContact CA-OG1 3.11Å; K402-T405 PolarHBondContact O-OG1 3.14Å; T405-I407 PolarHBondContact O-N 3.33Å |
| 406 | N | 47.3 | Very low | 47.6 | Very low | 144 Ų | 144 | 91.9 Ų | 91.9 | 77% | 0.77 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 7.5 | 172.1 | -75.2 | -16.7 | 0 | 0 | 0 | 113.4 | C404 | C404-N406 VanDerWaalsContact C-N 3.26Å; C404-N406 PolarHBondContact O-N 3.37Å |
| 407 | I | 41.1 | Very low | 46.7 | Very low | 68 Ų | 68 | 90.6 Ų | 90.6 | 35% | 0.349 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -104.8 | 118.5 | 174 | -55 | 175.7 | 0 | 0 | 0 | 108.9 | I190 T405 C409 | I190-I407 HydrophobicContact CD1-CG2 3.78Å; T405-I407 PolarHBondContact O-N 3.33Å; I407-C409 VanDerWaalsContact C-N 3.33Å; I407-C409 PolarHBondContact O-N 3.26Å |
| 408 | P | 34 | Very low | 46.5 | Very low | 119 Ų | 119 | 93.3 Ų | 93.3 | 77% | 0.773 | 50% | 0.503 | S | S | * | . | trans | -81.6 | 73.3 | -176.2 | 33.8 | -35.9 | 0 | 0 | 0 | 111.7 | ||||
| 409 | C | 34.5 | Very low | 46.4 | Very low | 47 Ų | 47 | 89 Ų | 89 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | trans | -128 | 156.4 | 173.7 | -75.4 | 0 | 0 | 0 | 0 | 112.6 | I190 I407 | I190-C409 HydrophobicContact CB-CB 4.34Å; I190-C409 VanDerWaalsContact CB-SG 3.57Å; I190-C409 HydrophobicContact CD1-CB 4.41Å; I190-C409 PolarHBondContact N-SG 3.19Å; I407-C409 VanDerWaalsContact C-N 3.33Å; I407-C409 PolarHBondContact O-N 3.26Å | ||
| 410 | Q | 34 | Very low | 46.7 | Very low | 142 Ų | 142 | 86.2 Ų | 86.2 | 66% | 0.664 | 47% | 0.467 | S | S | * | . | trans | -83.1 | 130 | -143.1 | -51.1 | -174.6 | 31.1 | 0 | 0 | 113.9 | D191 D412 | D191-Q410 PolarHBondContact OD2-NE2 3.42Å; Q410-D412 PolarHBondContact O-N 2.95Å; Q410-D412 VanDerWaalsContact O-N 3.13Å | ||
| 411 | K | 31.3 | Very low | 47.5 | Very low | 193 Ų | 193 | 88.2 Ų | 88.2 | 84% | 0.839 | 47% | 0.474 | S | S | * | . | trans | 21.3 | 74.8 | 150.3 | -62.7 | 177.8 | 179.4 | 171.5 | 0 | 117.9 | ||||
| 412 | D | 33.6 | Very low | 48.7 | Very low | 123 Ų | 123 | 86.9 Ų | 86.9 | 66% | 0.658 | 47% | 0.465 | S | S | * | . | trans | -141.9 | 82.3 | 150.4 | -97.1 | -32.1 | 0 | 0 | 0 | 110.3 | Q410 T414 | Q410-D412 PolarHBondContact O-N 2.95Å; Q410-D412 VanDerWaalsContact O-N 3.13Å; D412-T414 PolarHBondContact O-N 3.15Å | ||
| 413 | N | 34.8 | Very low | 49.8 | Very low | 164 Ų | 164 | 81.2 Ų | 81.2 | 88% | 0.877 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 8.3 | -172.7 | -76.5 | -3.6 | 0 | 0 | 0 | 114.8 | ||
| 414 | T | 43.4 | Very low | 51 | Low | 93 Ų | 93 | 79.1 Ų | 79.1 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -15.5 | -172.3 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | D412 | D412-T414 PolarHBondContact O-N 3.15Š|
| 415 | N | 40.9 | Very low | 52.4 | Low | 82 Ų | 82 | 77.7 Ų | 77.7 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -99.9 | -21.4 | -172.3 | -71.9 | -23.2 | 0 | 0 | 0 | 114.4 | S417 K418 | N415-S417 PolarHBondContact O-N 3.25Å; N415-K418 PolarHBondContact O-N 2.87Å |
| 416 | A | 40.4 | Very low | 54.1 | Low | 49 Ų | 49 | 73.5 Ų | 73.5 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -67 | -32.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K418 | A416-K418 VanDerWaalsContact C-N 3.31Å; A416-K418 PolarHBondContact O-N 3.26Å |
| 417 | S | 44.9 | Very low | 56.1 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -68.2 | -27.3 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | N415 N419 | N415-S417 PolarHBondContact O-N 3.25Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 PolarHBondContact O-N 2.77Å |
| 418 | K | 54.2 | Low | 58.4 | Low | 136 Ų | 136 | 63.4 Ų | 63.4 | 59% | 0.591 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -68.1 | -17.1 | -173.2 | -74.4 | -177 | 174.1 | 175.8 | 0 | 115.2 | N415 A416 W421 | N415-K418 PolarHBondContact O-N 2.87Å; A416-K418 VanDerWaalsContact C-N 3.31Å; A416-K418 PolarHBondContact O-N 3.26Å; K418-W421 PolarHBondContact O-NE1 2.73Å |
| 419 | N | 58.6 | Low | 61 | Low | 37 Ų | 37 | 57.9 Ų | 57.9 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -100.5 | -8.6 | -170.7 | -69.3 | -4.5 | 0 | 0 | 0 | 114 | Y114 S417 M422 | Y114-N419 PolarHBondContact OH-ND2 2.76Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 PolarHBondContact O-N 2.77Å; N419-M422 PolarHBondContact O-N 2.98Å |
| 420 | S | 68.3 | Low | 63.6 | Low | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | -175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | D397 M422 I423 A424 | D397-S420 WeakPolarHBondContact OD1-CB 2.93Å; D397-S420 PolarHBondContact OD1-OG 3.04Å; S420-M422 VanDerWaalsContact C-N 3.31Å; S420-M422 PolarHBondContact O-N 3.06Å; S420-I423 WeakPolarHBondContact O-CB 3.01Å; S420-I423 PolarHBondContact O-N 3.42Å; S420-A424 PolarHBondContact O-N 2.83Å |
| 421 | W | 75.5 | Confident | 66.3 | Low | 48 Ų | 48 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -35.2 | -179.3 | 79.3 | -87.6 | 0 | 0 | 0 | 112.9 | V359 K418 I423 A424 H425 D489 I490 | V359-W421 HydrophobicContact CG1-CH2 4.47Å; K418-W421 PolarHBondContact O-NE1 2.73Å; W421-I423 VanDerWaalsContact C-N 3.29Å; W421-I423 PolarHBondContact O-N 3.46Å; W421-A424 PolarHBondContact O-N 3.22Å; W421-H425 HydrophobicContact CE3-CB 4.31Å; W421-H425 HydrophobicContact CZ3-CB 4.48Å; W421-H425 VanDerWaalsContact O-CB 3.29Å; W421-H425 WeakPolarHBondContact O-CB 3.26Å; W421-H425 PolarHBondContact O-N 2.98Å; W421-D489 HydrophobicContact CZ3-CB 4.33Å; W421-I490 HydrophobicContact CB-CD1 4.22Å; W421-I490 WeakPolarHBondContact O-CD1 3.41Å |
| 422 | M | 81.3 | Confident | 69.1 | Low | 20 Ų | 20 | 41.5 Ų | 41.5 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | -179.8 | -66.9 | -179.1 | 149.4 | 0 | 0 | 112.2 | Q349 R363 N419 S420 G426 | Q349-M422 VanDerWaalsContact CA-SD 3.53Å; Q349-M422 HydrophobicContact CB-CE 4.5Å; Q349-M422 HydrophobicContact CB-SD 3.65Å; Q349-M422 HydrophobicContact CG-SD 4.28Å; Q349-M422 WeakPolarHBondContact O-CE 3.45Å; Q349-M422 PolarHBondContact OE1-SD 3.3Å; R363-M422 PolarHBondContact NE-O 2.94Å; N419-M422 PolarHBondContact O-N 2.98Å; S420-M422 VanDerWaalsContact C-N 3.31Å; S420-M422 PolarHBondContact O-N 3.06Å; M422-G426 PolarHBondContact O-N 3.23Å |
| 423 | I | 82.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.4 | -50.1 | 177.3 | -54.6 | 162.4 | 0 | 0 | 0 | 110 | L107 L392 L395 V400 S420 W421 H425 G426 G427 | L107-I423 HydrophobicContact CD1-CG2 4.43Å; L107-I423 HydrophobicContact CD2-CD1 3.9Å; L107-I423 HydrophobicContact CD2-CG1 4.16Å; L107-I423 HydrophobicContact CD2-CG2 4.18Å; L392-I423 HydrophobicContact CB-CG2 4.26Å; L392-I423 HydrophobicContact CD2-CG2 3.7Å; L395-I423 HydrophobicContact CD1-CG2 3.99Å; V400-I423 HydrophobicContact CG1-CD1 4.13Å; V400-I423 HydrophobicContact CG2-CD1 4.15Å; S420-I423 WeakPolarHBondContact O-CB 3.01Å; S420-I423 PolarHBondContact O-N 3.42Å; W421-I423 VanDerWaalsContact C-N 3.29Å; W421-I423 PolarHBondContact O-N 3.46Å; I423-H425 VanDerWaalsContact C-N 3.34Å; I423-H425 PolarHBondContact O-N 3.27Å; I423-G426 PolarHBondContact O-N 3Å; I423-G427 PolarHBondContact O-N 3.47Å |
| 424 | A | 84.2 | Confident | 74.5 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -35.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S420 W421 G427 L428 I490 | S420-A424 PolarHBondContact O-N 2.83Å; W421-A424 PolarHBondContact O-N 3.22Å; A424-G427 PolarHBondContact O-N 3.27Å; A424-L428 WeakPolarHBondContact O-CB 3.47Å; A424-L428 WeakPolarHBondContact O-CG 3.49Å; A424-L428 PolarHBondContact O-N 3.42Å; A424-I490 HydrophobicContact CB-CD1 3.49Å; A424-I490 VanDerWaalsContact CB-CD1 3.49Å |
| 425 | H | 85.9 | Confident | 76.7 | Confident | 12 Ų | 12 | 26.1 Ų | 26.1 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 169.8 | -173.9 | -105.1 | 0 | 0 | 0 | 111.4 | W421 I423 G427 L428 L429 I490 | W421-H425 HydrophobicContact CE3-CB 4.31Å; W421-H425 HydrophobicContact CZ3-CB 4.48Å; W421-H425 VanDerWaalsContact O-CB 3.29Å; W421-H425 WeakPolarHBondContact O-CB 3.26Å; W421-H425 PolarHBondContact O-N 2.98Å; I423-H425 VanDerWaalsContact C-N 3.34Å; I423-H425 PolarHBondContact O-N 3.27Å; H425-G427 VanDerWaalsContact C-N 3.33Å; H425-G427 PolarHBondContact O-N 3.35Å; H425-L428 PolarHBondContact O-N 2.91Å; H425-L429 VanDerWaalsContact CE1-CD1 3.43Å; H425-L429 WeakPolarHBondContact CE1-CD1 3.4Å; H425-L429 WeakPolarHBondContact O-CG 3.26Å; H425-L429 PolarHBondContact O-N 3.36Å; H425-I490 HydrophobicContact CB-CG1 4Å |
| 426 | G | 86.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M422 I423 G430 | M422-G426 PolarHBondContact O-N 3.23Å; I423-G426 PolarHBondContact O-N 3Å; G426-G430 PolarHBondContact O-N 3.05Å |
| 427 | G | 88.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V393 I423 A424 H425 G430 I431 | V393-G427 VanDerWaalsContact CG2-C 3.4Å; I423-G427 PolarHBondContact O-N 3.47Å; A424-G427 PolarHBondContact O-N 3.27Å; H425-G427 VanDerWaalsContact C-N 3.33Å; H425-G427 PolarHBondContact O-N 3.35Å; G427-G430 PolarHBondContact O-N 3.25Å; G427-I431 WeakPolarHBondContact O-CG1 3.41Å; G427-I431 PolarHBondContact O-N 3.44Å |
| 428 | L | 89.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.1 | -75.5 | 172.6 | 0 | 0 | 0 | 112.8 | V393 A424 H425 I431 K432 L453 R456 I490 A493 A494 | V393-L428 HydrophobicContact CG1-CD2 3.76Å; V393-L428 HydrophobicContact CG1-CG 3.91Å; V393-L428 HydrophobicContact CG2-CD2 4.08Å; V393-L428 HydrophobicContact CG2-CG 3.85Å; A424-L428 WeakPolarHBondContact O-CB 3.47Å; A424-L428 WeakPolarHBondContact O-CG 3.49Å; A424-L428 PolarHBondContact O-N 3.42Å; H425-L428 PolarHBondContact O-N 2.91Å; L428-I431 PolarHBondContact O-N 2.86Å; L428-K432 WeakPolarHBondContact O-CB 3.4Å; L428-K432 PolarHBondContact O-N 3.14Å; L428-L453 HydrophobicContact CD2-CD2 3.4Å; L428-R456 HydrophobicContact CD1-CB 4.33Å; L428-I490 HydrophobicContact CD1-CB 4.12Å; L428-I490 HydrophobicContact CD1-CG1 4.16Å; L428-I490 HydrophobicContact CD1-CG2 3.67Å; L428-I490 WeakPolarHBondContact CD1-O 3.23Å; L428-A493 HydrophobicContact CB-CB 3.84Å; L428-A493 HydrophobicContact CD1-CB 4.3Å; L428-A494 HydrophobicContact CD1-CB 4.25Å; L428-A494 HydrophobicContact CD2-CB 4.16Å |
| 429 | L | 89 | Confident | 84.5 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 173.2 | -67.8 | -173.3 | 0 | 0 | 0 | 111.4 | R363 E364 A367 H425 I431 K432 Y433 A493 | R363-L429 HydrophobicContact CB-CD1 4.08Å; E364-L429 HydrophobicContact CB-CD1 4.27Å; E364-L429 WeakPolarHBondContact OE2-CD1 3.44Å; E364-L429 WeakPolarHBondContact OE2-CD2 3.1Å; A367-L429 HydrophobicContact CB-CB 3.74Å; H425-L429 VanDerWaalsContact CE1-CD1 3.43Å; H425-L429 WeakPolarHBondContact CE1-CD1 3.4Å; H425-L429 WeakPolarHBondContact O-CG 3.26Å; H425-L429 PolarHBondContact O-N 3.36Å; L429-I431 VanDerWaalsContact C-N 3.3Å; L429-I431 PolarHBondContact O-N 2.98Å; L429-K432 HydrophobicContact CD2-CD 3.95Å; L429-K432 WeakPolarHBondContact O-CB 3.42Å; L429-K432 PolarHBondContact O-N 3.5Å; L429-Y433 WeakPolarHBondContact O-CD2 3.43Å; L429-Y433 PolarHBondContact O-N 2.78Å; L429-Y433 VanDerWaalsContact O-N 3.08Å; L429-A493 HydrophobicContact CD2-CB 4Å |
| 430 | G | 90 | Very high | 85.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.9 | -44.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G426 G427 L434 | G426-G430 PolarHBondContact O-N 3.05Å; G427-G430 PolarHBondContact O-N 3.25Å; G430-L434 VanDerWaalsContact O-CB 3.22Å; G430-L434 WeakPolarHBondContact O-CB 3.44Å; G430-L434 PolarHBondContact O-N 3.45Å |
| 431 | I | 90.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 176.5 | -68.7 | 170.3 | 0 | 0 | 0 | 111.6 | L389 V393 G427 L428 L429 Y433 L434 L435 V449 L453 A497 | L389-I431 HydrophobicContact CB-CD1 4.25Å; L389-I431 HydrophobicContact CB-CG1 3.83Å; L389-I431 HydrophobicContact CD1-CG1 4.09Å; V393-I431 HydrophobicContact CG2-CD1 4.03Å; G427-I431 WeakPolarHBondContact O-CG1 3.41Å; G427-I431 PolarHBondContact O-N 3.44Å; L428-I431 PolarHBondContact O-N 2.86Å; L429-I431 VanDerWaalsContact C-N 3.3Å; L429-I431 PolarHBondContact O-N 2.98Å; I431-Y433 VanDerWaalsContact C-N 3.32Å; I431-Y433 PolarHBondContact O-N 3.25Å; I431-L434 PolarHBondContact O-N 3.38Å; I431-L435 HydrophobicContact CG2-CD1 3.8Å; I431-L435 HydrophobicContact CG2-CG 4.21Å; I431-L435 WeakPolarHBondContact O-CB 3.25Å; I431-L435 WeakPolarHBondContact O-CG 3.33Å; I431-L435 PolarHBondContact O-N 3.17Å; I431-V449 HydrophobicContact CD1-CG1 4.47Å; I431-V449 HydrophobicContact CG2-CG1 3.44Å; I431-V449 VanDerWaalsContact CG2-CG1 3.44Å; I431-L453 HydrophobicContact CG2-CD1 4.36Å; I431-L453 HydrophobicContact CG2-CD2 4.17Å; I431-A497 HydrophobicContact CG2-CB 4.28Å |
| 432 | K | 90.1 | Very high | 86.9 | Confident | 37 Ų | 37 | 24.6 Ų | 24.6 | 16% | 0.161 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -51.9 | -49.6 | 177.1 | 165 | -169.9 | 163.4 | -167.9 | 0 | 111.5 | E364 L428 L429 A436 A497 | E364-K432 VanDerWaalsContact CD-NZ 3.25Å; E364-K432 IonicContact OE1-NZ 3.13Å; E364-K432 PolarHBondContact OE1-NZ 3.47Å; E364-K432 IonicContact OE2-NZ 3.23Å; E364-K432 PolarHBondContact OE2-NZ 2.92Å; E364-K432 VanDerWaalsContact OE2-NZ 3.08Å; L428-K432 WeakPolarHBondContact O-CB 3.4Å; L428-K432 PolarHBondContact O-N 3.14Å; L429-K432 HydrophobicContact CD2-CD 3.95Å; L429-K432 WeakPolarHBondContact O-CB 3.42Å; L429-K432 PolarHBondContact O-N 3.5Å; K432-A436 WeakPolarHBondContact O-CB 3.48Å; K432-A436 PolarHBondContact O-N 3.09Å; K432-A436 VanDerWaalsContact O-N 3.11Å; K432-A497 HydrophobicContact CB-CB 3.91Å |
| 433 | Y | 91.1 | Very high | 86.9 | Confident | 49 Ų | 49 | 30.3 Ų | 30.3 | 19% | 0.192 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -75.8 | -34 | -179.1 | -77.7 | -70.9 | 0 | 0 | 0 | 113.4 | E364 A367 Q368 L429 I431 A436 S437 | E364-Y433 HydrophobicContact CG-CE2 4.39Å; E364-Y433 PolarHBondContact OE1-OH 3.32Å; A367-Y433 HydrophobicContact CB-CD2 3.65Å; A367-Y433 HydrophobicContact CB-CE2 4.31Å; A367-Y433 VanDerWaalsContact O-CB 3.25Å; A367-Y433 WeakPolarHBondContact O-CB 3.26Å; Q368-Y433 HydrophobicContact CG-CD1 3.92Å; Q368-Y433 HydrophobicContact CG-CD2 4.18Å; Q368-Y433 HydrophobicContact CG-CE1 3.45Å; Q368-Y433 VanDerWaalsContact CG-CE1 3.45Å; Q368-Y433 HydrophobicContact CG-CE2 3.71Å; Q368-Y433 HydrophobicContact CG-CG 4.26Å; Q368-Y433 PolarHBondContact NE2-OH 2.93Å; L429-Y433 WeakPolarHBondContact O-CD2 3.43Å; L429-Y433 PolarHBondContact O-N 2.78Å; L429-Y433 VanDerWaalsContact O-N 3.08Å; I431-Y433 VanDerWaalsContact C-N 3.32Å; I431-Y433 PolarHBondContact O-N 3.25Å; Y433-A436 PolarHBondContact O-N 2.96Å; Y433-S437 WeakPolarHBondContact O-CB 3.45Å; Y433-S437 PolarHBondContact O-N 3.38Å; Y433-S437 PolarHBondContact O-OG 2.68Å |
| 434 | L | 91 | Very high | 87.1 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 174.7 | -173.4 | 65.3 | 0 | 0 | 0 | 112.6 | V382 V385 T386 L389 G430 I431 S437 R438 | V382-L434 HydrophobicContact CG1-CD1 4.12Å; V385-L434 HydrophobicContact CG1-CD2 4.49Å; T386-L434 WeakPolarHBondContact OG1-CD2 3.26Å; L389-L434 HydrophobicContact CD1-CD2 4.11Å; G430-L434 VanDerWaalsContact O-CB 3.22Å; G430-L434 WeakPolarHBondContact O-CB 3.44Å; G430-L434 PolarHBondContact O-N 3.45Å; I431-L434 PolarHBondContact O-N 3.38Å; L434-S437 PolarHBondContact O-OG 3.28Å; L434-S437 VanDerWaalsContact O-OG 3.05Å; L434-R438 PolarHBondContact O-N 2.92Å |
| 435 | L | 88.7 | Confident | 87.1 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 174.9 | -68.2 | 176 | 0 | 0 | 0 | 111.6 | I431 L445 V449 L453 A497 M501 | I431-L435 HydrophobicContact CG2-CD1 3.8Å; I431-L435 HydrophobicContact CG2-CG 4.21Å; I431-L435 WeakPolarHBondContact O-CB 3.25Å; I431-L435 WeakPolarHBondContact O-CG 3.33Å; I431-L435 PolarHBondContact O-N 3.17Å; L435-L445 HydrophobicContact CD2-CB 4.16Å; L435-L445 HydrophobicContact CD2-CD1 4.41Å; L435-V449 HydrophobicContact CD1-CG1 4.18Å; L435-L453 HydrophobicContact CD1-CD1 4.33Å; L435-A497 WeakPolarHBondContact CD1-O 3.39Å; L435-M501 HydrophobicContact CB-CE 4.1Å; L435-M501 HydrophobicContact CB-CG 4.31Å; L435-M501 HydrophobicContact CB-SD 4.25Å; L435-M501 HydrophobicContact CD1-CG 4.17Å; L435-M501 HydrophobicContact CD2-CG 4.46Å; L435-M501 HydrophobicContact CD2-SD 4.1Å; L435-M501 WeakPolarHBondContact O-CE 3.48Å |
| 436 | A | 87.9 | Confident | 86.9 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 35% | 0.347 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.9 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K432 Y433 K439 | K432-A436 WeakPolarHBondContact O-CB 3.48Å; K432-A436 PolarHBondContact O-N 3.09Å; K432-A436 VanDerWaalsContact O-N 3.11Å; Y433-A436 PolarHBondContact O-N 2.96Å; A436-K439 WeakPolarHBondContact O-CE 3.32Å |
| 437 | S | 86.7 | Confident | 86.6 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -81.1 | -51.1 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | G371 S374 Y433 L434 K439 | G371-S437 WeakPolarHBondContact O-CB 3.43Å; G371-S437 PolarHBondContact O-OG 3.41Å; S374-S437 PolarHBondContact OG-OG 3.19Å; Y433-S437 WeakPolarHBondContact O-CB 3.45Å; Y433-S437 PolarHBondContact O-N 3.38Å; Y433-S437 PolarHBondContact O-OG 2.68Å; L434-S437 PolarHBondContact O-OG 3.28Å; L434-S437 VanDerWaalsContact O-OG 3.05Å; S437-K439 PolarHBondContact O-N 3.5Å |
| 438 | R | 86.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | trans | -96.5 | 55.5 | -173.9 | -63.9 | -59.3 | -62.7 | -97.9 | 4 | 113.4 | S374 L377 L434 D440 L441 L445 | S374-R438 WeakPolarHBondContact O-CD 3.41Å; S374-R438 PolarHBondContact O-NH1 2.86Å; L377-R438 PolarHBondContact O-NH1 3.47Å; L434-R438 PolarHBondContact O-N 2.92Å; R438-D440 WeakPolarHBondContact CA-OD1 3.31Å; R438-D440 IonicContact CZ-OD1 3.86Å; R438-D440 IonicContact CZ-OD2 2.72Å; R438-D440 IonicContact NE-OD1 2.89Å; R438-D440 PolarHBondContact NE-OD1 3.45Å; R438-D440 IonicContact NE-OD2 3.26Å; R438-D440 PolarHBondContact NE-OD2 3.06Å; R438-D440 VanDerWaalsContact NE-OD2 3.1Å; R438-D440 IonicContact NH2-OD2 3.82Å; R438-D440 PolarHBondContact NH2-OD2 3.06Å; R438-D440 PolarHBondContact O-N 3.09Å; R438-L441 HydrophobicContact CB-CD1 4.44Å; R438-L441 PolarHBondContact O-N 3.4Å; R438-L441 VanDerWaalsContact O-N 3.08Å; R438-L445 HydrophobicContact CB-CD1 4.43Å | ||
| 439 | K | 83.9 | Confident | 86 | Confident | 125 Ų | 125 | 42.9 Ų | 42.9 | 54% | 0.543 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -61.5 | -21.6 | 174.1 | -59.5 | -169.1 | 179.5 | -170 | 0 | 113.3 | A436 S437 L441 K442 M501 | A436-K439 WeakPolarHBondContact O-CE 3.32Å; S437-K439 PolarHBondContact O-N 3.5Å; K439-L441 VanDerWaalsContact C-N 3.29Å; K439-K442 PolarHBondContact O-N 2.98Å; K439-M501 HydrophobicContact CG-CE 4.1Å |
| 440 | D | 85.3 | Confident | 85.5 | Confident | 106 Ų | 106 | 43.5 Ų | 43.5 | 57% | 0.567 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -64.5 | -29.6 | 173.3 | 60.7 | -53.6 | 0 | 0 | 0 | 113.2 | R438 | R438-D440 WeakPolarHBondContact CA-OD1 3.31Å; R438-D440 IonicContact CZ-OD1 3.86Å; R438-D440 IonicContact CZ-OD2 2.72Å; R438-D440 IonicContact NE-OD1 2.89Å; R438-D440 PolarHBondContact NE-OD1 3.45Å; R438-D440 IonicContact NE-OD2 3.26Å; R438-D440 PolarHBondContact NE-OD2 3.06Å; R438-D440 VanDerWaalsContact NE-OD2 3.1Å; R438-D440 IonicContact NH2-OD2 3.82Å; R438-D440 PolarHBondContact NH2-OD2 3.06Å; R438-D440 PolarHBondContact O-N 3.09Å |
| 441 | L | 84.6 | Confident | 85 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -97.5 | 16.9 | -179.1 | -62.1 | -178.3 | 0 | 0 | 0 | 113.3 | T379 V382 R438 K439 D443 T444 L445 | T379-L441 HydrophobicContact CG2-CD1 4.01Å; T379-L441 HydrophobicContact CG2-CD2 3.82Å; V382-L441 HydrophobicContact CB-CD1 4.29Å; V382-L441 HydrophobicContact CG1-CD1 3.87Å; R438-L441 HydrophobicContact CB-CD1 4.44Å; R438-L441 PolarHBondContact O-N 3.4Å; R438-L441 VanDerWaalsContact O-N 3.08Å; K439-L441 VanDerWaalsContact C-N 3.29Å; L441-D443 PolarHBondContact O-N 3.38Å; L441-T444 PolarHBondContact O-N 3.03Å; L441-T444 VanDerWaalsContact O-N 3.07Å; L441-L445 HydrophobicContact CB-CD1 3.76Å; L441-L445 HydrophobicContact CB-CG 3.94Å; L441-L445 WeakPolarHBondContact O-CG 3.15Å; L441-L445 PolarHBondContact O-N 3.4Å |
| 442 | K | 82.5 | Confident | 84.5 | Confident | 34 Ų | 34 | 46.7 Ų | 46.7 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -47 | -55.6 | -176.3 | 172.4 | 172.1 | 163.3 | 167.3 | 0 | 111.8 | K439 T444 L445 L446 M501 D503 | K439-K442 PolarHBondContact O-N 2.98Å; K442-T444 PolarHBondContact O-N 3.2Å; K442-L445 PolarHBondContact O-N 2.89Å; K442-L446 HydrophobicContact CG-CD2 4.28Å; K442-L446 WeakPolarHBondContact O-CB 3.36Å; K442-L446 PolarHBondContact O-N 2.84Å; K442-M501 HydrophobicContact CB-SD 4.47Å; K442-M501 HydrophobicContact CD-SD 4.36Å; K442-M501 HydrophobicContact CG-SD 4.2Å; K442-M501 PolarHBondContact NZ-O 2.95Å; K442-D503 IonicContact NZ-OD1 3.42Å; K442-D503 PolarHBondContact NZ-OD1 3.43Å; K442-D503 IonicContact NZ-OD2 3.95Å; K442-D503 PolarHBondContact NZ-OD2 3.27Å |
| 443 | D | 81.5 | Confident | 84 | Confident | 141 Ų | 141 | 45 Ų | 45 | 75% | 0.754 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.6 | -26 | -173.9 | -57.4 | -31 | 0 | 0 | 0 | 113.5 | L441 P447 | L441-D443 PolarHBondContact O-N 3.38Å; D443-P447 VanDerWaalsContact O-CD 3.31Å; D443-P447 WeakPolarHBondContact O-CD 3.46Å; D443-P447 WeakPolarHBondContact O-CG 3.45Å |
| 444 | T | 85.9 | Confident | 83.3 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -87.5 | -37 | 178.2 | -40.9 | 0 | 0 | 0 | 0 | 112.4 | L383 L441 K442 H448 | L383-T444 HydrophobicContact CD1-CG2 4.36Å; L383-T444 HydrophobicContact CD2-CG2 4.15Å; L441-T444 PolarHBondContact O-N 3.03Å; L441-T444 VanDerWaalsContact O-N 3.07Å; K442-T444 PolarHBondContact O-N 3.2Å; T444-H448 PolarHBondContact O-CD2 2.82Å; T444-H448 VanDerWaalsContact O-CD2 3.28Å |
| 445 | L | 84.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -83.2 | -38.1 | -175.1 | -67 | 176.9 | 0 | 0 | 0 | 113.2 | V382 L383 T386 L435 R438 L441 K442 H448 V449 | V382-L445 HydrophobicContact CG1-CD1 4.34Å; V382-L445 HydrophobicContact CG1-CD2 4.13Å; L383-L445 HydrophobicContact CD2-CD2 4.02Å; T386-L445 HydrophobicContact CG2-CD2 4.25Å; T386-L445 WeakPolarHBondContact OG1-CD2 3.25Å; L435-L445 HydrophobicContact CD2-CB 4.16Å; L435-L445 HydrophobicContact CD2-CD1 4.41Å; R438-L445 HydrophobicContact CB-CD1 4.43Å; L441-L445 HydrophobicContact CB-CD1 3.76Å; L441-L445 HydrophobicContact CB-CG 3.94Å; L441-L445 WeakPolarHBondContact O-CG 3.15Å; L441-L445 PolarHBondContact O-N 3.4Å; K442-L445 PolarHBondContact O-N 2.89Å; L445-H448 PolarHBondContact O-N 2.7Å; L445-V449 WeakPolarHBondContact O-CB 3.33Å; L445-V449 WeakPolarHBondContact O-CG2 3.17Å; L445-V449 PolarHBondContact O-N 2.98Å |
| 446 | L | 80.7 | Confident | 82 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | -174.2 | -135.8 | 64.3 | 0 | 0 | 0 | 113.3 | K442 H448 V449 T450 M501 W506 | K442-L446 HydrophobicContact CG-CD2 4.28Å; K442-L446 WeakPolarHBondContact O-CB 3.36Å; K442-L446 PolarHBondContact O-N 2.84Å; L446-H448 PolarHBondContact O-N 3.5Å; L446-V449 PolarHBondContact O-N 3.32Å; L446-T450 VanDerWaalsContact O-CB 3.27Å; L446-T450 WeakPolarHBondContact O-CB 3.36Å; L446-T450 PolarHBondContact O-N 2.85Å; L446-T450 PolarHBondContact O-OG1 3.43Å; L446-M501 HydrophobicContact CD1-CB 3.94Å; L446-M501 HydrophobicContact CD1-CG 3.8Å; L446-M501 HydrophobicContact CD1-SD 4.05Å; L446-W506 HydrophobicContact CD2-CG 4.07Å |
| 447 | P | 80.8 | Confident | 81.4 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60 | -31.1 | -179.1 | -24.8 | 35.7 | 0 | 0 | 0 | 113.9 | D443 P451 | D443-P447 VanDerWaalsContact O-CD 3.31Å; D443-P447 WeakPolarHBondContact O-CD 3.46Å; D443-P447 WeakPolarHBondContact O-CG 3.45Å; P447-P451 WeakPolarHBondContact O-CD 3.43Å |
| 448 | H | 81.8 | Confident | 80.6 | Confident | 111 Ų | 111 | 45.9 Ų | 45.9 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -81.2 | -37.8 | 178 | -65 | -52.7 | 0 | 0 | 0 | 112.6 | I390 T444 L445 L446 | I390-H448 HydrophobicContact CD1-CB 4.12Å; I390-H448 WeakPolarHBondContact CD1-O 3.33Å; T444-H448 PolarHBondContact O-CD2 2.82Å; T444-H448 VanDerWaalsContact O-CD2 3.28Å; L445-H448 PolarHBondContact O-N 2.7Å; L446-H448 PolarHBondContact O-N 3.5Å |
| 449 | V | 83.8 | Confident | 79.6 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -87.5 | -35.1 | -171.9 | 172 | 0 | 0 | 0 | 0 | 112.6 | T386 I390 I431 L435 L445 L446 C452 L453 | T386-V449 HydrophobicContact CG2-CG2 3.51Å; I390-V449 HydrophobicContact CD1-CG2 4.26Å; I431-V449 HydrophobicContact CD1-CG1 4.47Å; I431-V449 HydrophobicContact CG2-CG1 3.44Å; I431-V449 VanDerWaalsContact CG2-CG1 3.44Å; L435-V449 HydrophobicContact CD1-CG1 4.18Å; L445-V449 WeakPolarHBondContact O-CB 3.33Å; L445-V449 WeakPolarHBondContact O-CG2 3.17Å; L445-V449 PolarHBondContact O-N 2.98Å; L446-V449 PolarHBondContact O-N 3.32Å; V449-C452 WeakPolarHBondContact O-CB 3.37Å; V449-C452 PolarHBondContact O-N 2.92Å; V449-C452 VanDerWaalsContact O-N 3.1Å; V449-L453 HydrophobicContact CG1-CD1 3.52Å; V449-L453 HydrophobicContact CG1-CD2 4.48Å; V449-L453 HydrophobicContact CG1-CG 3.71Å; V449-L453 PolarHBondContact O-N 2.97Å |
| 450 | T | 78.5 | Confident | 78.5 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 10% | 0.104 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56 | -45.4 | -175.4 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | L446 C452 L453 I454 W506 | L446-T450 VanDerWaalsContact O-CB 3.27Å; L446-T450 WeakPolarHBondContact O-CB 3.36Å; L446-T450 PolarHBondContact O-N 2.85Å; L446-T450 PolarHBondContact O-OG1 3.43Å; T450-C452 VanDerWaalsContact C-N 3.26Å; T450-C452 PolarHBondContact O-N 3.44Å; T450-L453 PolarHBondContact O-N 3.45Å; T450-I454 HydrophobicContact CG2-CD1 3.56Å; T450-I454 HydrophobicContact CG2-CG1 4.21Å; T450-I454 WeakPolarHBondContact O-CB 3.19Å; T450-I454 VanDerWaalsContact O-CG1 3.28Å; T450-I454 WeakPolarHBondContact O-CG1 3.37Å; T450-I454 PolarHBondContact O-N 3.39Å; T450-W506 HydrophobicContact CG2-CZ2 4.22Å |
| 451 | P | 78.9 | Confident | 76.8 | Confident | 57 Ų | 57 | 45 Ų | 45 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 177.5 | -23.5 | 34.5 | 0 | 0 | 0 | 112.9 | P447 S455 | P447-P451 WeakPolarHBondContact O-CD 3.43Å; P451-S455 WeakPolarHBondContact O-CB 3.39Å; P451-S455 PolarHBondContact O-N 3.32Å |
| 452 | C | 79.3 | Confident | 75 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.1 | -44.9 | 179.9 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | I390 V393 V449 T450 S455 R456 | I390-C452 HydrophobicContact CG1-CB 4.41Å; I390-C452 HydrophobicContact CG2-CB 4.39Å; V393-C452 VanDerWaalsContact CB-SG 3.56Å; V393-C452 WeakPolarHBondContact CG1-SG 3.09Å; V449-C452 WeakPolarHBondContact O-CB 3.37Å; V449-C452 PolarHBondContact O-N 2.92Å; V449-C452 VanDerWaalsContact O-N 3.1Å; T450-C452 VanDerWaalsContact C-N 3.26Å; T450-C452 PolarHBondContact O-N 3.44Å; C452-S455 PolarHBondContact O-N 3.26Å; C452-R456 PolarHBondContact O-N 3.11Å |
| 453 | L | 80.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.5 | -66 | -179.1 | 0 | 0 | 0 | 111.7 | L428 I431 L435 V449 T450 L457 A494 A497 L498 | L428-L453 HydrophobicContact CD2-CD2 3.4Å; I431-L453 HydrophobicContact CG2-CD1 4.36Å; I431-L453 HydrophobicContact CG2-CD2 4.17Å; L435-L453 HydrophobicContact CD1-CD1 4.33Å; V449-L453 HydrophobicContact CG1-CD1 3.52Å; V449-L453 HydrophobicContact CG1-CD2 4.48Å; V449-L453 HydrophobicContact CG1-CG 3.71Å; V449-L453 PolarHBondContact O-N 2.97Å; T450-L453 PolarHBondContact O-N 3.45Å; L453-L457 WeakPolarHBondContact O-CB 3.47Å; L453-L457 PolarHBondContact O-N 3.27Å; L453-A494 HydrophobicContact CD2-CB 4.33Å; L453-A497 HydrophobicContact CD1-CB 4Å; L453-A497 HydrophobicContact CD2-CB 3.94Å; L453-L498 HydrophobicContact CB-CD2 4.24Å; L453-L498 HydrophobicContact CB-CG 4.37Å; L453-L498 HydrophobicContact CD1-CD2 3.51Å; L453-L498 HydrophobicContact CD1-CG 3.84Å |
| 454 | I | 76.9 | Confident | 70.5 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 175.7 | -74.4 | 174 | 0 | 0 | 0 | 111.3 | T450 R456 L457 F458 F518 | T450-I454 HydrophobicContact CG2-CD1 3.56Å; T450-I454 HydrophobicContact CG2-CG1 4.21Å; T450-I454 WeakPolarHBondContact O-CB 3.19Å; T450-I454 VanDerWaalsContact O-CG1 3.28Å; T450-I454 WeakPolarHBondContact O-CG1 3.37Å; T450-I454 PolarHBondContact O-N 3.39Å; I454-R456 PolarHBondContact O-N 3.28Å; I454-L457 PolarHBondContact O-N 3.28Å; I454-F458 HydrophobicContact CG2-CD2 3.78Å; I454-F458 HydrophobicContact CG2-CE2 3.88Å; I454-F458 WeakPolarHBondContact O-CD2 3.38Å; I454-F458 PolarHBondContact O-N 3.4Å; I454-F458 VanDerWaalsContact O-N 3.07Å; I454-F518 HydrophobicContact CD1-CD2 4.19Å; I454-F518 HydrophobicContact CD1-CE2 4.42Å; I454-F518 HydrophobicContact CG1-CD2 3.97Å; I454-F518 HydrophobicContact CG1-CE2 3.83Å |
| 455 | S | 76.6 | Confident | 67.9 | Low | 26 Ų | 26 | 57.5 Ų | 57.5 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | -178.9 | 178.3 | 0 | 0 | 0 | 0 | 112 | P451 C452 G459 I460 | P451-S455 WeakPolarHBondContact O-CB 3.39Å; P451-S455 PolarHBondContact O-N 3.32Å; C452-S455 PolarHBondContact O-N 3.26Å; S455-G459 WeakPolarHBondContact O-CA 3.29Å; S455-G459 PolarHBondContact O-N 2.9Å; S455-I460 PolarHBondContact O-N 2.72Å; S455-I460 PolarHBondContact OG-O 3.37Å |
| 456 | R | 76.1 | Confident | 65.3 | Low | 43 Ų | 43 | 65 Ų | 65 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -78.4 | -30.7 | 177.3 | -72.4 | -60.4 | -178.7 | 172.5 | -4.6 | 115.1 | V393 L395 L428 C452 I454 F458 I490 | V393-R456 HydrophobicContact CG1-CB 4.47Å; V393-R456 HydrophobicContact CG1-CG 3.52Å; V393-R456 VanDerWaalsContact O-CZ 3.24Å; V393-R456 PolarHBondContact O-NE 3.05Å; V393-R456 PolarHBondContact O-NH2 3Å; L395-R456 PolarHBondContact O-NH2 2.86Å; L428-R456 HydrophobicContact CD1-CB 4.33Å; C452-R456 PolarHBondContact O-N 3.11Å; I454-R456 PolarHBondContact O-N 3.28Å; R456-F458 VanDerWaalsContact C-N 3.25Å; R456-F458 PolarHBondContact O-N 2.91Å; R456-I490 HydrophobicContact CB-CG2 4.01Å; R456-I490 HydrophobicContact CG-CG2 4.48Å |
| 457 | L | 74.9 | Confident | 63 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 173.8 | -171.3 | 63 | 0 | 0 | 0 | 110.6 | L453 I454 A494 A495 L498 F518 V522 L525 L543 | L453-L457 WeakPolarHBondContact O-CB 3.47Å; L453-L457 PolarHBondContact O-N 3.27Å; I454-L457 PolarHBondContact O-N 3.28Å; L457-A494 HydrophobicContact CB-CB 4.34Å; L457-A494 HydrophobicContact CD1-CB 4.35Å; L457-A495 HydrophobicContact CD1-CB 4.27Å; L457-L498 HydrophobicContact CD2-CD1 4.12Å; L457-F518 HydrophobicContact CD2-CE2 3.98Å; L457-F518 HydrophobicContact CD2-CZ 3.99Å; L457-V522 HydrophobicContact CD2-CG2 4.12Å; L457-L525 HydrophobicContact CD1-CD1 3.8Å; L457-L525 HydrophobicContact CG-CD1 3.81Å; L457-L525 WeakPolarHBondContact O-CD1 3.46Å; L457-L525 VanDerWaalsContact O-CD2 3.24Å; L457-L525 WeakPolarHBondContact O-CD2 3.31Å; L457-L543 HydrophobicContact CD2-CD2 3.99Å |
| 458 | F | 70.3 | Confident | 60.4 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 13% | 0.127 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -107.7 | -9.8 | -174.6 | -53.8 | -36.1 | 0 | 0 | 0 | 116.2 | I454 R456 I460 F518 H521 V522 L525 | I454-F458 HydrophobicContact CG2-CD2 3.78Å; I454-F458 HydrophobicContact CG2-CE2 3.88Å; I454-F458 WeakPolarHBondContact O-CD2 3.38Å; I454-F458 PolarHBondContact O-N 3.4Å; I454-F458 VanDerWaalsContact O-N 3.07Å; R456-F458 VanDerWaalsContact C-N 3.25Å; R456-F458 PolarHBondContact O-N 2.91Å; F458-I460 VanDerWaalsContact C-N 3.3Å; F458-I460 HydrophobicContact CB-CD1 3.94Å; F458-I460 HydrophobicContact CB-CG1 3.99Å; F458-I460 PolarHBondContact O-N 3.46Å; F458-F518 AromaticContact CE2-CD2 3.53Å; F458-F518 HydrophobicContact CE2-CD2 3.53Å; F458-F518 AromaticContact CE2-CE2 3.94Å; F458-F518 HydrophobicContact CE2-CE2 3.94Å; F458-F518 HydrophobicContact CE2-CG 4.38Å; F458-F518 AromaticContact CZ-CD2 3.42Å; F458-F518 HydrophobicContact CZ-CD2 3.42Å; F458-F518 VanDerWaalsContact CZ-CD2 3.42Å; F458-F518 AromaticContact CZ-CE2 3.59Å; F458-F518 HydrophobicContact CZ-CE2 3.59Å; F458-F518 HydrophobicContact CZ-CG 4.07Å; F458-F518 HydrophobicContact CZ-CZ 4.4Å; F458-F518 WeakPolarHBondContact CZ-O 3.34Å; F458-H521 HydrophobicContact CD1-CB 3.47Å; F458-H521 VanDerWaalsContact CD1-CB 3.47Å; F458-H521 HydrophobicContact CD2-CB 3.83Å; F458-H521 HydrophobicContact CE1-CB 3.39Å; F458-H521 HydrophobicContact CE2-CB 3.74Å; F458-H521 HydrophobicContact CG-CB 3.7Å; F458-H521 HydrophobicContact CZ-CB 3.54Å; F458-V522 HydrophobicContact CE1-CB 4.46Å; F458-V522 HydrophobicContact CE1-CG2 3.7Å; F458-V522 HydrophobicContact CZ-CG2 3.85Å; F458-L525 HydrophobicContact CD1-CD1 3.99Å; F458-L525 HydrophobicContact CD1-CG 4.37Å; F458-L525 HydrophobicContact CE1-CD1 4.13Å |
| 459 | G | 63.9 | Low | 57.9 | Low | 65 Ų | 65 | 77.1 Ų | 77.1 | 67% | 0.67 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 21.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S455 | S455-G459 WeakPolarHBondContact O-CA 3.29Å; S455-G459 PolarHBondContact O-N 2.9Å |
| 460 | I | 61 | Low | 55.4 | Low | 74 Ų | 74 | 81.4 Ų | 81.4 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | trans | -96.9 | 124.8 | -177.6 | -56 | 173.2 | 0 | 0 | 0 | 109.2 | S455 F458 | S455-I460 PolarHBondContact O-N 2.72Å; S455-I460 PolarHBondContact OG-O 3.37Å; F458-I460 VanDerWaalsContact C-N 3.3Å; F458-I460 HydrophobicContact CB-CD1 3.94Å; F458-I460 HydrophobicContact CB-CG1 3.99Å; F458-I460 PolarHBondContact O-N 3.46Å | ||
| 461 | P | 50.9 | Low | 53.1 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | trans | -66.7 | 141.2 | 175.6 | 27.4 | -33.8 | 0 | 0 | 0 | 111.2 | I463 | P461-I463 PolarHBondContact O-N 3.28Å; P461-I463 VanDerWaalsContact O-N 3.09Å | ||
| 462 | N | 45 | Very low | 50.8 | Low | 117 Ų | 117 | 95 Ų | 95 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | trans | -64.2 | 107.7 | -177.7 | -117.5 | -11.8 | 0 | 0 | 0 | 111.2 | A464 | N462-A464 VanDerWaalsContact C-N 3.33Å; N462-A464 PolarHBondContact O-N 3.1Å; N462-A464 VanDerWaalsContact O-N 3.09Å | ||
| 463 | I | 34 | Very low | 48.3 | Very low | 163 Ų | 163 | 100.6 Ų | 100.6 | 84% | 0.836 | 57% | 0.567 | S | S | * | * | trans | -83 | 83.2 | 171.9 | -54.4 | 176.8 | 0 | 0 | 0 | 108.1 | P461 | P461-I463 PolarHBondContact O-N 3.28Å; P461-I463 VanDerWaalsContact O-N 3.09Å | ||
| 464 | A | 35.7 | Very low | 45.8 | Very low | 78 Ų | 78 | 103.7 Ų | 103.7 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | trans | -132 | 47.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N462 | N462-A464 VanDerWaalsContact C-N 3.33Å; N462-A464 PolarHBondContact O-N 3.1Å; N462-A464 VanDerWaalsContact O-N 3.09Å | ||
| 465 | D | 32 | Very low | 43.2 | Very low | 160 Ų | 160 | 113.1 Ų | 113.1 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -136.6 | 110.6 | 163.5 | -98.9 | -40 | 0 | 0 | 0 | 110.7 | Q467 | D465-Q467 PolarHBondContact O-N 2.86Š| ||
| 466 | N | 29.4 | Very low | 41.1 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | trans | -82.7 | 88.8 | 176.5 | -89.1 | -38.4 | 0 | 0 | 0 | 110.5 | ||||
| 467 | Q | 32.3 | Very low | 38.7 | Very low | 175 Ų | 175 | 120.7 Ų | 120.7 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -170.5 | 127.8 | 150.4 | -108.1 | 148.9 | 86.8 | 0 | 0 | 114.5 | D465 | D465-Q467 PolarHBondContact O-N 2.86Š| ||
| 468 | I | 25.9 | Very low | 36.3 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | 60.7 | 96.9 | 153.3 | -46.1 | 159.9 | 0 | 0 | 0 | 117.3 | ||||
| 469 | V | 30.2 | Very low | 34.3 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | -147.1 | 104.5 | 115.2 | -179.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 470 | S | 30.5 | Very low | 32.5 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -87.7 | 138.4 | 162.3 | 54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 471 | Q | 30.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 56.8 | 108.8 | 159.1 | -56.4 | 172.4 | 4.4 | 0 | 0 | 117.3 | ||||
| 472 | Q | 30.4 | Very low | 29.6 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -175.3 | 140.7 | 108.4 | -98.2 | 164 | 39.2 | 0 | 0 | 112.4 | G474 | Q472-G474 PolarHBondContact O-N 2.92Š| |||
| 473 | S | 27.5 | Very low | 29.1 | Very low | 128 Ų | 128 | 140 Ų | 140 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -74.4 | 116.5 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 474 | G | 28.6 | Very low | 29.4 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | -166.1 | 126.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q472 P476 | Q472-G474 PolarHBondContact O-N 2.92Å; G474-P476 VanDerWaalsContact O-CD 3.3Å; G474-P476 WeakPolarHBondContact O-CD 3.3Å | ||
| 475 | R | 22.4 | Very low | 29.7 | Very low | 253 Ų | 253 | 138.7 Ų | 138.7 | 96% | 0.955 | 79% | 0.792 | S | S | * | * | trans | -63.2 | 126.1 | 173.6 | -91.7 | 177.1 | 165.5 | 174.4 | -5.2 | 110.4 | ||||
| 476 | P | 31.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -94.5 | 105.1 | 154.1 | 12.5 | 8.1 | 0 | 0 | 0 | 108.3 | G474 | G474-P476 VanDerWaalsContact O-CD 3.3Å; G474-P476 WeakPolarHBondContact O-CD 3.3Å | ||
| 477 | S | 25.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -69.4 | 155.4 | 157.9 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 478 | S | 25.7 | Very low | 34.2 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 58.3 | 82.5 | 175.1 | 63 | 0 | 0 | 0 | 0 | 117 | ||||
| 479 | F | 28.4 | Very low | 36.5 | Very low | 216 Ų | 216 | 119.3 Ų | 119.3 | 95% | 0.947 | 70% | 0.695 | S | S | * | * | trans | -113.6 | 115.6 | 132.3 | -101.8 | -93.6 | 0 | 0 | 0 | 107.3 | ||||
| 480 | S | 24.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 112.6 Ų | 112.6 | 76% | 0.755 | 65% | 0.654 | S | S | * | * | trans | -106.4 | 156.9 | -177 | 55 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 481 | A | 26 | Very low | 41.1 | Very low | 96 Ų | 96 | 110.3 Ų | 110.3 | 79% | 0.793 | 63% | 0.631 | S | S | * | * | trans | 89.1 | 133.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 482 | N | 25.7 | Very low | 43.4 | Very low | 155 Ų | 155 | 102.8 Ų | 102.8 | 83% | 0.829 | 60% | 0.597 | S | S | * | * | trans | -81.4 | 147.3 | -174 | -59.1 | -35.1 | 0 | 0 | 0 | 112.4 | ||||
| 483 | P | 35 | Very low | 45.8 | Very low | 111 Ų | 111 | 93.9 Ų | 93.9 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | trans | -134.4 | 28.4 | 155.9 | 39.5 | -25.4 | 0 | 0 | 0 | 113.5 | ||||
| 484 | L | 39.8 | Very low | 48.5 | Very low | 140 Ų | 140 | 87.8 Ų | 87.8 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | trans | -92 | -2.7 | -168.2 | -84.4 | 159.9 | 0 | 0 | 0 | 116.2 | R491 | L484-R491 PolarHBondContact O-NH2 3.27Š| ||
| 485 | A | 42.8 | Very low | 51.1 | Low | 73 Ų | 73 | 84.7 Ų | 84.7 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -94.4 | -25.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D487 | A485-D487 PolarHBondContact O-N 3.22Š|
| 486 | D | 53.4 | Low | 54.1 | Low | 135 Ų | 135 | 73.9 Ų | 73.9 | 72% | 0.722 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -100.4 | 26.9 | -149.1 | -57.9 | -27.1 | 0 | 0 | 0 | 116 | ||
| 487 | D | 65.2 | Low | 56.6 | Low | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.193 | 41% | 0.407 | C | S | . | . | trans | -150.2 | 46.3 | -167.3 | -130.4 | -15.5 | 0 | 0 | 0 | 116.7 | A485 I490 R491 | A485-D487 PolarHBondContact O-N 3.22Å; D487-I490 HydrophobicContact CB-CB 4.49Å; D487-I490 WeakPolarHBondContact OD1-CB 3.48Å; D487-I490 VanDerWaalsContact OD1-CD1 3.26Å; D487-I490 WeakPolarHBondContact OD1-CD1 3.42Å; D487-I490 WeakPolarHBondContact OD1-CG1 3.41Å; D487-I490 WeakPolarHBondContact OD2-CD1 3.23Å; D487-R491 WeakPolarHBondContact O-CG 3.44Å; D487-R491 PolarHBondContact O-N 2.75Å | ||
| 488 | E | 69.6 | Low | 59.4 | Low | 33 Ų | 33 | 63.2 Ų | 63.2 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.4 | -64.5 | -162.8 | 175.1 | 0 | 0 | 113.8 | I490 R491 A492 P530 S534 S536 | E488-I490 PolarHBondContact O-N 2.68Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.48Å; E488-R491 VanDerWaalsContact O-N 3.16Å; E488-A492 PolarHBondContact O-N 3.39Å; E488-P530 VanDerWaalsContact OE1-CD 3.31Å; E488-P530 WeakPolarHBondContact OE1-CD 3.42Å; E488-S534 WeakPolarHBondContact OE2-CB 3.48Å; E488-S536 PolarHBondContact OE2-OG 3.5Å |
| 489 | D | 73.3 | Confident | 62.1 | Low | 29 Ų | 29 | 60.8 Ų | 60.8 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.4 | -32.9 | -175.9 | -61.4 | -43.9 | 0 | 0 | 0 | 112.1 | W421 A492 A493 | W421-D489 HydrophobicContact CZ3-CB 4.33Å; D489-A492 PolarHBondContact O-N 2.88Å; D489-A493 VanDerWaalsContact O-CB 3.3Å; D489-A493 WeakPolarHBondContact O-CB 3.44Å; D489-A493 PolarHBondContact O-N 3.46Å |
| 490 | I | 79.1 | Confident | 64.4 | Low | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 169.5 | -81.4 | -162.2 | 0 | 0 | 0 | 111.6 | W421 A424 H425 L428 R456 D487 E488 A492 A493 A494 | W421-I490 HydrophobicContact CB-CD1 4.22Å; W421-I490 WeakPolarHBondContact O-CD1 3.41Å; A424-I490 HydrophobicContact CB-CD1 3.49Å; A424-I490 VanDerWaalsContact CB-CD1 3.49Å; H425-I490 HydrophobicContact CB-CG1 4Å; L428-I490 HydrophobicContact CD1-CB 4.12Å; L428-I490 HydrophobicContact CD1-CG1 4.16Å; L428-I490 HydrophobicContact CD1-CG2 3.67Å; L428-I490 WeakPolarHBondContact CD1-O 3.23Å; R456-I490 HydrophobicContact CB-CG2 4.01Å; R456-I490 HydrophobicContact CG-CG2 4.48Å; D487-I490 HydrophobicContact CB-CB 4.49Å; D487-I490 WeakPolarHBondContact OD1-CB 3.48Å; D487-I490 VanDerWaalsContact OD1-CD1 3.26Å; D487-I490 WeakPolarHBondContact OD1-CD1 3.42Å; D487-I490 WeakPolarHBondContact OD1-CG1 3.41Å; D487-I490 WeakPolarHBondContact OD2-CD1 3.23Å; E488-I490 PolarHBondContact O-N 2.68Å; I490-A492 VanDerWaalsContact C-N 3.32Å; I490-A492 PolarHBondContact O-N 3.31Å; I490-A493 PolarHBondContact O-N 2.87Å; I490-A494 WeakPolarHBondContact O-CB 3.49Å; I490-A494 PolarHBondContact O-N 3.33Å |
| 491 | R | 78 | Confident | 66.8 | Low | 45 Ų | 45 | 48.2 Ų | 48.2 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.6 | -62.8 | 168.7 | -168.9 | 159.8 | 7.8 | 110.9 | L484 D487 E488 A495 | L484-R491 PolarHBondContact O-NH2 3.27Å; D487-R491 WeakPolarHBondContact O-CG 3.44Å; D487-R491 PolarHBondContact O-N 2.75Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.48Å; E488-R491 VanDerWaalsContact O-N 3.16Å; R491-A495 WeakPolarHBondContact O-CB 3.42Å; R491-A495 PolarHBondContact O-N 3.12Å |
| 492 | A | 78.7 | Confident | 69.2 | Low | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E488 D489 I490 A495 S496 S536 | E488-A492 PolarHBondContact O-N 3.39Å; D489-A492 PolarHBondContact O-N 2.88Å; I490-A492 VanDerWaalsContact C-N 3.32Å; I490-A492 PolarHBondContact O-N 3.31Å; A492-A495 PolarHBondContact O-N 2.87Å; A492-S496 WeakPolarHBondContact O-CB 3.48Å; A492-S496 PolarHBondContact O-N 2.95Å; A492-S496 PolarHBondContact O-OG 3.26Å; A492-S536 VanDerWaalsContact CB-CA 3.46Å; A492-S536 WeakPolarHBondContact CB-O 3.41Å |
| 493 | A | 81 | Confident | 71.5 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L428 L429 D489 I490 S496 A497 | L428-A493 HydrophobicContact CB-CB 3.84Å; L428-A493 HydrophobicContact CD1-CB 4.3Å; L429-A493 HydrophobicContact CD2-CB 4Å; D489-A493 VanDerWaalsContact O-CB 3.3Å; D489-A493 WeakPolarHBondContact O-CB 3.44Å; D489-A493 PolarHBondContact O-N 3.46Å; I490-A493 PolarHBondContact O-N 2.87Å; A493-S496 PolarHBondContact O-N 3.38Å; A493-A497 WeakPolarHBondContact O-CB 3.37Å; A493-A497 PolarHBondContact O-N 3.33Å |
| 494 | A | 83.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L428 L453 L457 I490 S496 A497 L498 | L428-A494 HydrophobicContact CD1-CB 4.25Å; L428-A494 HydrophobicContact CD2-CB 4.16Å; L453-A494 HydrophobicContact CD2-CB 4.33Å; L457-A494 HydrophobicContact CB-CB 4.34Å; L457-A494 HydrophobicContact CD1-CB 4.35Å; I490-A494 WeakPolarHBondContact O-CB 3.49Å; I490-A494 PolarHBondContact O-N 3.33Å; A494-S496 PolarHBondContact O-N 2.96Å; A494-A497 PolarHBondContact O-N 3.46Å; A494-L498 PolarHBondContact O-N 3.09Å |
| 495 | A | 84.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L457 R491 A492 A497 L498 L499 P539 V540 L543 | L457-A495 HydrophobicContact CD1-CB 4.27Å; R491-A495 WeakPolarHBondContact O-CB 3.42Å; R491-A495 PolarHBondContact O-N 3.12Å; A492-A495 PolarHBondContact O-N 2.87Å; A495-A497 VanDerWaalsContact C-N 3.32Å; A495-A497 PolarHBondContact O-N 3.43Å; A495-L498 PolarHBondContact O-N 3.5Å; A495-L499 WeakPolarHBondContact O-CG 3.42Å; A495-L499 PolarHBondContact O-N 2.91Å; A495-L499 VanDerWaalsContact O-N 3.1Å; A495-P539 HydrophobicContact CB-CB 4.2Å; A495-V540 HydrophobicContact CB-CG2 3.94Å; A495-L543 HydrophobicContact CB-CB 4.48Å; A495-L543 HydrophobicContact CB-CD2 3.96Å |
| 496 | S | 84.1 | Confident | 75.7 | Confident | 27 Ų | 27 | 34 Ų | 34 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -32.3 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 113 | A492 A493 A494 P500 P539 | A492-S496 WeakPolarHBondContact O-CB 3.48Å; A492-S496 PolarHBondContact O-N 2.95Å; A492-S496 PolarHBondContact O-OG 3.26Å; A493-S496 PolarHBondContact O-N 3.38Å; A494-S496 PolarHBondContact O-N 2.96Å; S496-P500 VanDerWaalsContact O-CD 3.23Å; S496-P500 WeakPolarHBondContact O-CD 3.38Å; S496-P539 WeakPolarHBondContact OG-CB 3.45Å; S496-P539 WeakPolarHBondContact OG-CG 3.35Å |
| 497 | A | 85.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.6 | -34.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I431 K432 L435 L453 A493 A494 A495 | I431-A497 HydrophobicContact CG2-CB 4.28Å; K432-A497 HydrophobicContact CB-CB 3.91Å; L435-A497 WeakPolarHBondContact CD1-O 3.39Å; L453-A497 HydrophobicContact CD1-CB 4Å; L453-A497 HydrophobicContact CD2-CB 3.94Å; A493-A497 WeakPolarHBondContact O-CB 3.37Å; A493-A497 PolarHBondContact O-N 3.33Å; A494-A497 PolarHBondContact O-N 3.46Å; A495-A497 VanDerWaalsContact C-N 3.32Å; A495-A497 PolarHBondContact O-N 3.43Å |
| 498 | L | 83 | Confident | 76.7 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.5 | -36.5 | 178 | -70.1 | 173 | 0 | 0 | 0 | 113.2 | L453 L457 A494 A495 M501 I502 F518 L543 | L453-L498 HydrophobicContact CB-CD2 4.24Å; L453-L498 HydrophobicContact CB-CG 4.37Å; L453-L498 HydrophobicContact CD1-CD2 3.51Å; L453-L498 HydrophobicContact CD1-CG 3.84Å; L457-L498 HydrophobicContact CD2-CD1 4.12Å; A494-L498 PolarHBondContact O-N 3.09Å; A495-L498 PolarHBondContact O-N 3.5Å; L498-M501 WeakPolarHBondContact O-CB 3.49Å; L498-M501 PolarHBondContact O-N 3.24Å; L498-I502 HydrophobicContact CB-CD1 4.38Å; L498-F518 HydrophobicContact CD1-CE2 4.41Å; L498-F518 HydrophobicContact CD1-CZ 3.94Å; L498-L543 HydrophobicContact CB-CD1 3.99Å; L498-L543 HydrophobicContact CD1-CD1 4.44Å; L498-L543 HydrophobicContact CD1-CD2 4.48Å |
| 499 | L | 82.7 | Confident | 76.7 | Confident | 54 Ų | 54 | 33.6 Ų | 33.6 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -49 | -45.1 | -173.8 | -90.2 | 169.5 | 0 | 0 | 0 | 115.5 | A495 M501 P539 A546 | A495-L499 WeakPolarHBondContact O-CG 3.42Å; A495-L499 PolarHBondContact O-N 2.91Å; A495-L499 VanDerWaalsContact O-N 3.1Å; L499-M501 PolarHBondContact O-N 2.73Å; L499-P539 HydrophobicContact CD1-CB 4.28Å; L499-A546 HydrophobicContact CD2-CB 4.3Å |
| 500 | P | 77.1 | Confident | 76.5 | Confident | 53 Ų | 53 | 33.7 Ų | 33.7 | 34% | 0.344 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -68.7 | -13.6 | 179.5 | -21.7 | 34.2 | 0 | 0 | 0 | 115.3 | S496 | S496-P500 VanDerWaalsContact O-CD 3.23Å; S496-P500 WeakPolarHBondContact O-CD 3.38Å |
| 501 | M | 75.8 | Confident | 76 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -101.3 | -17 | -171.5 | -63.3 | -68.4 | 105 | 0 | 0 | 114.1 | L435 K439 K442 L446 L498 L499 D503 | L435-M501 HydrophobicContact CB-CE 4.1Å; L435-M501 HydrophobicContact CB-CG 4.31Å; L435-M501 HydrophobicContact CB-SD 4.25Å; L435-M501 HydrophobicContact CD1-CG 4.17Å; L435-M501 HydrophobicContact CD2-CG 4.46Å; L435-M501 HydrophobicContact CD2-SD 4.1Å; L435-M501 WeakPolarHBondContact O-CE 3.48Å; K439-M501 HydrophobicContact CG-CE 4.1Å; K442-M501 HydrophobicContact CB-SD 4.47Å; K442-M501 HydrophobicContact CD-SD 4.36Å; K442-M501 HydrophobicContact CG-SD 4.2Å; K442-M501 PolarHBondContact NZ-O 2.95Å; L446-M501 HydrophobicContact CD1-CB 3.94Å; L446-M501 HydrophobicContact CD1-CG 3.8Å; L446-M501 HydrophobicContact CD1-SD 4.05Å; L498-M501 WeakPolarHBondContact O-CB 3.49Å; L498-M501 PolarHBondContact O-N 3.24Å; L499-M501 PolarHBondContact O-N 2.73Å; M501-D503 PolarHBondContact O-N 3.4Å |
| 502 | I | 75.9 | Confident | 75.5 | Confident | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.118 | 21% | 0.212 | C | C | . | . | trans | -78.3 | 116.2 | -171.4 | -66.7 | 166.4 | 0 | 0 | 0 | 111.3 | L498 W506 L543 A546 L547 A550 | L498-I502 HydrophobicContact CB-CD1 4.38Å; I502-W506 HydrophobicContact CD1-CZ3 4.43Å; I502-W506 HydrophobicContact CG1-CE3 3.94Å; I502-W506 HydrophobicContact CG1-CZ3 4.02Å; I502-L543 HydrophobicContact CD1-CD1 3.26Å; I502-A546 HydrophobicContact CG2-CB 4.24Å; I502-L547 HydrophobicContact CD1-CD2 4.19Å; I502-L547 HydrophobicContact CD1-CG 4.48Å; I502-A550 HydrophobicContact CG2-CB 4.39Å | ||
| 503 | D | 73.3 | Confident | 75.1 | Confident | 59 Ų | 59 | 44 Ų | 44 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | trans | -138.2 | 179.2 | 169.8 | 55.1 | 19.9 | 0 | 0 | 0 | 110 | K442 M501 M505 W506 V507 | K442-D503 IonicContact NZ-OD1 3.42Å; K442-D503 PolarHBondContact NZ-OD1 3.43Å; K442-D503 IonicContact NZ-OD2 3.95Å; K442-D503 PolarHBondContact NZ-OD2 3.27Å; M501-D503 PolarHBondContact O-N 3.4Å; D503-M505 VanDerWaalsContact C-N 3.29Å; D503-M505 PolarHBondContact O-N 3.35Å; D503-M505 PolarHBondContact OD1-N 3.11Å; D503-W506 PolarHBondContact O-N 2.91Å; D503-W506 PolarHBondContact OD1-N 3.39Å; D503-V507 PolarHBondContact O-N 3.42Å | ||
| 504 | T | 63.5 | Low | 74.5 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 179.1 | 50.6 | 0 | 0 | 0 | 0 | 112 | W506 V507 E508 | T504-W506 VanDerWaalsContact C-N 3.34Å; T504-W506 PolarHBondContact O-N 3.18Å; T504-V507 PolarHBondContact O-N 3.25Å; T504-V507 VanDerWaalsContact O-N 3.13Å; T504-E508 WeakPolarHBondContact O-CG 3.48Å; T504-E508 PolarHBondContact O-N 2.97Å |
| 505 | M | 68.9 | Low | 74 | Confident | 135 Ų | 135 | 49.2 Ų | 49.2 | 67% | 0.665 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.4 | -33.7 | -179.2 | -62.1 | -171.7 | 75.3 | 0 | 0 | 112.7 | D503 E508 S509 | D503-M505 VanDerWaalsContact C-N 3.29Å; D503-M505 PolarHBondContact O-N 3.35Å; D503-M505 PolarHBondContact OD1-N 3.11Å; M505-E508 PolarHBondContact O-N 2.97Å; M505-S509 PolarHBondContact O-N 2.93Å |
| 506 | W | 73.5 | Confident | 73.3 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 172.6 | -173.4 | 61.4 | 0 | 0 | 0 | 112.9 | L446 T450 I502 D503 T504 E508 S509 L510 F518 L547 | L446-W506 HydrophobicContact CD2-CG 4.07Å; T450-W506 HydrophobicContact CG2-CZ2 4.22Å; I502-W506 HydrophobicContact CD1-CZ3 4.43Å; I502-W506 HydrophobicContact CG1-CE3 3.94Å; I502-W506 HydrophobicContact CG1-CZ3 4.02Å; D503-W506 PolarHBondContact O-N 2.91Å; D503-W506 PolarHBondContact OD1-N 3.39Å; T504-W506 VanDerWaalsContact C-N 3.34Å; T504-W506 PolarHBondContact O-N 3.18Å; W506-E508 PolarHBondContact O-N 2.92Å; W506-S509 PolarHBondContact O-N 3.26Å; W506-S509 PolarHBondContact O-OG 3.4Å; W506-L510 HydrophobicContact CD2-CD1 4.34Å; W506-L510 HydrophobicContact CE3-CD1 4.21Å; W506-L510 HydrophobicContact CH2-CD1 3.83Å; W506-L510 HydrophobicContact CZ2-CD1 3.93Å; W506-L510 HydrophobicContact CZ3-CD1 3.96Å; W506-F518 HydrophobicContact CH2-CE1 4.34Å; W506-F518 HydrophobicContact CH2-CZ 4.41Å; W506-L547 HydrophobicContact CZ3-CD2 3.97Å |
| 507 | V | 71 | Confident | 72.7 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.7 | -20.1 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 112 | D503 T504 Y515 A550 K554 | D503-V507 PolarHBondContact O-N 3.42Å; T504-V507 PolarHBondContact O-N 3.25Å; T504-V507 VanDerWaalsContact O-N 3.13Å; V507-Y515 HydrophobicContact CG1-CD2 3.93Å; V507-Y515 HydrophobicContact CG1-CE2 3.95Å; V507-A550 HydrophobicContact CB-CB 4.5Å; V507-A550 HydrophobicContact CG2-CB 3.67Å; V507-K554 HydrophobicContact CG1-CD 4.13Å |
| 508 | E | 68 | Low | 72.3 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -77.5 | -24.8 | 169.9 | -72.4 | 165.2 | -170.8 | 0 | 0 | 113.1 | T504 M505 W506 | T504-E508 WeakPolarHBondContact O-CG 3.48Å; T504-E508 PolarHBondContact O-N 2.97Å; M505-E508 PolarHBondContact O-N 2.97Å; W506-E508 PolarHBondContact O-N 2.92Å |
| 509 | S | 69.9 | Low | 71.9 | Confident | 87 Ų | 87 | 55 Ų | 55 | 61% | 0.608 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -83.6 | -18.2 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | M505 W506 | M505-S509 PolarHBondContact O-N 2.93Å; W506-S509 PolarHBondContact O-N 3.26Å; W506-S509 PolarHBondContact O-OG 3.4Å |
| 510 | L | 69.9 | Low | 71.4 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -84.6 | 138 | 174.1 | -66.3 | 170.1 | 0 | 0 | 0 | 111.2 | W506 | W506-L510 HydrophobicContact CD2-CD1 4.34Å; W506-L510 HydrophobicContact CE3-CD1 4.21Å; W506-L510 HydrophobicContact CH2-CD1 3.83Å; W506-L510 HydrophobicContact CZ2-CD1 3.93Å; W506-L510 HydrophobicContact CZ3-CD1 3.96Å |
| 511 | S | 68.5 | Low | 71.2 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | trans | -64.6 | 151.9 | 169.8 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | Y513 E514 Y515 | S511-Y513 PolarHBondContact O-N 3.48Å; S511-Y513 VanDerWaalsContact O-N 3.11Å; S511-E514 WeakPolarHBondContact CB-OE2 3.49Å; S511-E514 PolarHBondContact N-OE2 3.25Å; S511-E514 PolarHBondContact O-N 3.31Å; S511-E514 VanDerWaalsContact O-N 3.08Å; S511-E514 VanDerWaalsContact OG-CG 3.25Å; S511-E514 WeakPolarHBondContact OG-CG 3.3Å; S511-E514 PolarHBondContact OG-N 2.8Å; S511-E514 PolarHBondContact OG-OE2 3.38Å; S511-Y515 PolarHBondContact O-N 3.13Å | ||
| 512 | Q | 67.2 | Low | 71.2 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.1 | -27.6 | -179.6 | -163.4 | 66.3 | 31.2 | 0 | 0 | 112.3 | N516 | Q512-N516 WeakPolarHBondContact O-CB 3.41Å; Q512-N516 PolarHBondContact O-N 3.46Å; Q512-N516 VanDerWaalsContact O-N 3.13Å; Q512-N516 PolarHBondContact O-ND2 3.43Å; Q512-N516 VanDerWaalsContact O-ND2 3.11Å |
| 513 | Y | 70.3 | Confident | 71.1 | Confident | 136 Ų | 136 | 52.6 Ų | 52.6 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.5 | -51.5 | 173.1 | 179.7 | -97 | 0 | 0 | 0 | 111.5 | S511 Y515 N516 L517 | S511-Y513 PolarHBondContact O-N 3.48Å; S511-Y513 VanDerWaalsContact O-N 3.11Å; Y513-Y515 PolarHBondContact O-N 2.78Å; Y513-N516 PolarHBondContact O-N 3.19Å; Y513-L517 WeakPolarHBondContact O-CB 3.46Å; Y513-L517 PolarHBondContact O-N 2.99Å |
| 514 | E | 69.3 | Low | 71.1 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178 | -70.3 | 159.7 | 139.2 | 0 | 0 | 111.9 | S511 L517 F518 | S511-E514 WeakPolarHBondContact CB-OE2 3.49Å; S511-E514 PolarHBondContact N-OE2 3.25Å; S511-E514 PolarHBondContact O-N 3.31Å; S511-E514 VanDerWaalsContact O-N 3.08Å; S511-E514 VanDerWaalsContact OG-CG 3.25Å; S511-E514 WeakPolarHBondContact OG-CG 3.3Å; S511-E514 PolarHBondContact OG-N 2.8Å; S511-E514 PolarHBondContact OG-OE2 3.38Å; E514-L517 PolarHBondContact O-N 3.47Å; E514-F518 VanDerWaalsContact O-CB 3.22Å; E514-F518 WeakPolarHBondContact O-CB 3.49Å; E514-F518 PolarHBondContact O-N 3.4Å |
| 515 | Y | 73 | Confident | 71.4 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 175.7 | 175.1 | -100.2 | 0 | 0 | 0 | 112 | V507 S511 Y513 L517 F518 V519 E551 | V507-Y515 HydrophobicContact CG1-CD2 3.93Å; V507-Y515 HydrophobicContact CG1-CE2 3.95Å; S511-Y515 PolarHBondContact O-N 3.13Å; Y513-Y515 PolarHBondContact O-N 2.78Å; Y515-L517 VanDerWaalsContact C-N 3.32Å; Y515-L517 PolarHBondContact O-N 2.85Å; Y515-F518 PolarHBondContact O-N 3.38Å; Y515-V519 HydrophobicContact CD2-CG2 4.18Å; Y515-V519 HydrophobicContact CE1-CG2 4.03Å; Y515-V519 HydrophobicContact CE2-CG2 3.64Å; Y515-V519 WeakPolarHBondContact O-CB 3.43Å; Y515-V519 WeakPolarHBondContact O-CG2 3.41Å; Y515-V519 PolarHBondContact O-N 3.14Å; Y515-E551 HydrophobicContact CE1-CB 4.44Å; Y515-E551 HydrophobicContact CE1-CG 4.19Å; Y515-E551 VanDerWaalsContact OH-CB 3.27Å; Y515-E551 WeakPolarHBondContact OH-CB 3.34Å |
| 516 | N | 69.5 | Low | 71.6 | Confident | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.1 | -75.3 | -23.7 | 0 | 0 | 0 | 111.4 | Q512 Y513 N520 | Q512-N516 WeakPolarHBondContact O-CB 3.41Å; Q512-N516 PolarHBondContact O-N 3.46Å; Q512-N516 VanDerWaalsContact O-N 3.13Å; Q512-N516 PolarHBondContact O-ND2 3.43Å; Q512-N516 VanDerWaalsContact O-ND2 3.11Å; Y513-N516 PolarHBondContact O-N 3.19Å; N516-N520 WeakPolarHBondContact O-CB 3.4Å; N516-N520 VanDerWaalsContact O-CG 3.28Å; N516-N520 PolarHBondContact O-N 3.4Å; N516-N520 PolarHBondContact O-ND2 2.82Å |
| 517 | L | 71.4 | Confident | 71.4 | Confident | 61 Ų | 61 | 50 Ų | 50 | 32% | 0.319 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.2 | -50.6 | 177 | -163.4 | 91.8 | 0 | 0 | 0 | 110.7 | Y513 E514 Y515 N520 H521 | Y513-L517 WeakPolarHBondContact O-CB 3.46Å; Y513-L517 PolarHBondContact O-N 2.99Å; E514-L517 PolarHBondContact O-N 3.47Å; Y515-L517 VanDerWaalsContact C-N 3.32Å; Y515-L517 PolarHBondContact O-N 2.85Å; L517-N520 PolarHBondContact O-N 2.69Å; L517-H521 PolarHBondContact O-N 3.38Å; L517-H521 PolarHBondContact O-ND1 2.94Å |
| 518 | F | 75.8 | Confident | 71.1 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -51 | 179.9 | -178.6 | -97.6 | 0 | 0 | 0 | 111.5 | I454 L457 F458 L498 W506 E514 Y515 N520 H521 V522 L547 | I454-F518 HydrophobicContact CD1-CD2 4.19Å; I454-F518 HydrophobicContact CD1-CE2 4.42Å; I454-F518 HydrophobicContact CG1-CD2 3.97Å; I454-F518 HydrophobicContact CG1-CE2 3.83Å; L457-F518 HydrophobicContact CD2-CE2 3.98Å; L457-F518 HydrophobicContact CD2-CZ 3.99Å; F458-F518 AromaticContact CE2-CD2 3.53Å; F458-F518 HydrophobicContact CE2-CD2 3.53Å; F458-F518 AromaticContact CE2-CE2 3.94Å; F458-F518 HydrophobicContact CE2-CE2 3.94Å; F458-F518 HydrophobicContact CE2-CG 4.38Å; F458-F518 AromaticContact CZ-CD2 3.42Å; F458-F518 HydrophobicContact CZ-CD2 3.42Å; F458-F518 VanDerWaalsContact CZ-CD2 3.42Å; F458-F518 AromaticContact CZ-CE2 3.59Å; F458-F518 HydrophobicContact CZ-CE2 3.59Å; F458-F518 HydrophobicContact CZ-CG 4.07Å; F458-F518 HydrophobicContact CZ-CZ 4.4Å; F458-F518 WeakPolarHBondContact CZ-O 3.34Å; L498-F518 HydrophobicContact CD1-CE2 4.41Å; L498-F518 HydrophobicContact CD1-CZ 3.94Å; W506-F518 HydrophobicContact CH2-CE1 4.34Å; W506-F518 HydrophobicContact CH2-CZ 4.41Å; E514-F518 VanDerWaalsContact O-CB 3.22Å; E514-F518 WeakPolarHBondContact O-CB 3.49Å; E514-F518 PolarHBondContact O-N 3.4Å; Y515-F518 PolarHBondContact O-N 3.38Å; F518-N520 PolarHBondContact O-N 2.89Å; F518-H521 PolarHBondContact O-N 3.42Å; F518-V522 HydrophobicContact CD1-CG2 4.33Å; F518-V522 HydrophobicContact CE1-CG2 4Å; F518-V522 HydrophobicContact CZ-CG2 4.11Å; F518-V522 WeakPolarHBondContact O-CG2 3.49Å; F518-V522 PolarHBondContact O-N 3.24Å; F518-L547 HydrophobicContact CD1-CD1 4.17Å; F518-L547 HydrophobicContact CD1-CD2 4.35Å; F518-L547 HydrophobicContact CE1-CD1 3.67Å; F518-L547 HydrophobicContact CE1-CD2 3.94Å; F518-L547 HydrophobicContact CE1-CG 4.45Å |
| 519 | V | 74.7 | Confident | 70.7 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 178.7 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | Y515 H521 V522 W523 L547 | Y515-V519 HydrophobicContact CD2-CG2 4.18Å; Y515-V519 HydrophobicContact CE1-CG2 4.03Å; Y515-V519 HydrophobicContact CE2-CG2 3.64Å; Y515-V519 WeakPolarHBondContact O-CB 3.43Å; Y515-V519 WeakPolarHBondContact O-CG2 3.41Å; Y515-V519 PolarHBondContact O-N 3.14Å; V519-H521 VanDerWaalsContact C-N 3.35Å; V519-H521 PolarHBondContact O-N 3.45Å; V519-V522 PolarHBondContact O-N 3.07Å; V519-W523 PolarHBondContact O-N 2.93Å; V519-L547 HydrophobicContact CG2-CD1 4.49Å |
| 520 | N | 72.2 | Confident | 69.9 | Low | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 177.8 | -77 | -38.5 | 0 | 0 | 0 | 112.7 | N516 L517 F518 W523 S524 Y574 I576 | N516-N520 WeakPolarHBondContact O-CB 3.4Å; N516-N520 VanDerWaalsContact O-CG 3.28Å; N516-N520 PolarHBondContact O-N 3.4Å; N516-N520 PolarHBondContact O-ND2 2.82Å; L517-N520 PolarHBondContact O-N 2.69Å; F518-N520 PolarHBondContact O-N 2.89Å; N520-W523 PolarHBondContact O-N 3.23Å; N520-S524 PolarHBondContact O-N 3.17Å; N520-Y574 PolarHBondContact ND2-O 3.37Å; N520-I576 HydrophobicContact CB-CD1 4.34Å; N520-I576 WeakPolarHBondContact O-CD1 3.46Å |
| 521 | H | 73.8 | Confident | 68.9 | Low | 49 Ų | 49 | 53.6 Ų | 53.6 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.9 | -74.5 | 79.7 | 0 | 0 | 0 | 111.6 | F458 L517 F518 V519 W523 S524 L525 | F458-H521 HydrophobicContact CD1-CB 3.47Å; F458-H521 VanDerWaalsContact CD1-CB 3.47Å; F458-H521 HydrophobicContact CD2-CB 3.83Å; F458-H521 HydrophobicContact CE1-CB 3.39Å; F458-H521 HydrophobicContact CE2-CB 3.74Å; F458-H521 HydrophobicContact CG-CB 3.7Å; F458-H521 HydrophobicContact CZ-CB 3.54Å; L517-H521 PolarHBondContact O-N 3.38Å; L517-H521 PolarHBondContact O-ND1 2.94Å; F518-H521 PolarHBondContact O-N 3.42Å; V519-H521 VanDerWaalsContact C-N 3.35Å; V519-H521 PolarHBondContact O-N 3.45Å; H521-W523 VanDerWaalsContact C-N 3.31Å; H521-W523 PolarHBondContact O-N 2.98Å; H521-S524 WeakPolarHBondContact O-CA 3.33Å; H521-S524 WeakPolarHBondContact O-CB 3.34Å; H521-S524 PolarHBondContact O-N 3.27Å; H521-S524 PolarHBondContact O-OG 2.79Å; H521-L525 PolarHBondContact O-N 2.94Å; H521-L525 VanDerWaalsContact O-N 3.16Å |
| 522 | V | 76.1 | Confident | 68.1 | Low | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 111 | L457 F458 F518 V519 S524 L525 V540 L543 V544 | L457-V522 HydrophobicContact CD2-CG2 4.12Å; F458-V522 HydrophobicContact CE1-CB 4.46Å; F458-V522 HydrophobicContact CE1-CG2 3.7Å; F458-V522 HydrophobicContact CZ-CG2 3.85Å; F518-V522 HydrophobicContact CD1-CG2 4.33Å; F518-V522 HydrophobicContact CE1-CG2 4Å; F518-V522 HydrophobicContact CZ-CG2 4.11Å; F518-V522 WeakPolarHBondContact O-CG2 3.49Å; F518-V522 PolarHBondContact O-N 3.24Å; V519-V522 PolarHBondContact O-N 3.07Å; V522-S524 VanDerWaalsContact C-N 3.3Å; V522-S524 PolarHBondContact O-N 2.66Å; V522-L525 WeakPolarHBondContact O-CB 3.32Å; V522-L525 PolarHBondContact O-N 3.45Å; V522-V540 HydrophobicContact CG1-CG1 4.18Å; V522-L543 HydrophobicContact CG1-CD2 4.36Å; V522-L543 HydrophobicContact CG2-CD2 4.23Å; V522-V544 HydrophobicContact CG1-CG2 3.47Å; V522-V544 VanDerWaalsContact CG1-CG2 3.47Å |
| 523 | W | 74.4 | Confident | 67.6 | Low | 9 Ų | 9 | 55.7 Ų | 55.7 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 173.9 | -81.2 | 107.6 | 0 | 0 | 0 | 113.5 | V519 N520 H521 L525 I526 R527 V544 I576 K581 I585 V607 | V519-W523 PolarHBondContact O-N 2.93Å; N520-W523 PolarHBondContact O-N 3.23Å; H521-W523 VanDerWaalsContact C-N 3.31Å; H521-W523 PolarHBondContact O-N 2.98Å; W523-L525 VanDerWaalsContact C-N 3.31Å; W523-L525 PolarHBondContact O-N 3.03Å; W523-I526 HydrophobicContact CE3-CD1 4.43Å; W523-I526 HydrophobicContact CZ3-CD1 4.5Å; W523-R527 PolarHBondContact O-N 2.96Å; W523-V544 HydrophobicContact CH2-CG1 3.94Å; W523-V544 HydrophobicContact CZ2-CG1 3.36Å; W523-I576 HydrophobicContact CB-CD1 3.63Å; W523-K581 HydrophobicContact CD2-CB 4.29Å; W523-K581 HydrophobicContact CD2-CD 3.77Å; W523-K581 HydrophobicContact CD2-CG 3.77Å; W523-K581 HydrophobicContact CE3-CB 3.92Å; W523-K581 HydrophobicContact CE3-CD 4.27Å; W523-K581 HydrophobicContact CE3-CG 3.79Å; W523-K581 HydrophobicContact CG-CD 4.09Å; W523-K581 HydrophobicContact CG-CG 4.25Å; W523-K581 HydrophobicContact CH2-CB 3.97Å; W523-K581 HydrophobicContact CH2-CG 4.46Å; W523-K581 HydrophobicContact CZ2-CB 4.31Å; W523-K581 HydrophobicContact CZ2-CD 4.06Å; W523-K581 HydrophobicContact CZ2-CG 4.43Å; W523-K581 HydrophobicContact CZ3-CB 3.75Å; W523-K581 HydrophobicContact CZ3-CG 4.15Å; W523-I585 HydrophobicContact CH2-CD1 3.58Å; W523-I585 HydrophobicContact CH2-CG1 3.93Å; W523-I585 HydrophobicContact CZ3-CD1 4.09Å; W523-I585 HydrophobicContact CZ3-CG1 3.97Å; W523-V607 HydrophobicContact CH2-CG2 4.01Å; W523-V607 HydrophobicContact CZ2-CG2 3.8Å |
| 524 | S | 71.9 | Confident | 67.2 | Low | 39 Ų | 39 | 50.5 Ų | 50.5 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.1 | -27.6 | 176.2 | 79.4 | 0 | 0 | 0 | 0 | 113.3 | N520 H521 V522 R527 N528 | N520-S524 PolarHBondContact O-N 3.17Å; H521-S524 WeakPolarHBondContact O-CA 3.33Å; H521-S524 WeakPolarHBondContact O-CB 3.34Å; H521-S524 PolarHBondContact O-N 3.27Å; H521-S524 PolarHBondContact O-OG 2.79Å; V522-S524 VanDerWaalsContact C-N 3.3Å; V522-S524 PolarHBondContact O-N 2.66Å; S524-R527 PolarHBondContact O-N 3.35Å; S524-N528 VanDerWaalsContact O-CG 3.26Å; S524-N528 PolarHBondContact O-N 2.63Å; S524-N528 PolarHBondContact O-ND2 3.28Å |
| 525 | L | 70.9 | Confident | 66.6 | Low | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 175.7 | -60.6 | 173.5 | 0 | 0 | 0 | 111.5 | L457 F458 H521 V522 W523 R527 N528 T529 | L457-L525 HydrophobicContact CD1-CD1 3.8Å; L457-L525 HydrophobicContact CG-CD1 3.81Å; L457-L525 WeakPolarHBondContact O-CD1 3.46Å; L457-L525 VanDerWaalsContact O-CD2 3.24Å; L457-L525 WeakPolarHBondContact O-CD2 3.31Å; F458-L525 HydrophobicContact CD1-CD1 3.99Å; F458-L525 HydrophobicContact CD1-CG 4.37Å; F458-L525 HydrophobicContact CE1-CD1 4.13Å; H521-L525 PolarHBondContact O-N 2.94Å; H521-L525 VanDerWaalsContact O-N 3.16Å; V522-L525 WeakPolarHBondContact O-CB 3.32Å; V522-L525 PolarHBondContact O-N 3.45Å; W523-L525 VanDerWaalsContact C-N 3.31Å; W523-L525 PolarHBondContact O-N 3.03Å; L525-R527 PolarHBondContact O-N 2.79Å; L525-N528 PolarHBondContact O-N 3.37Å; L525-T529 PolarHBondContact O-N 3.25Å; L525-T529 PolarHBondContact O-OG1 3.15Å |
| 526 | I | 73.3 | Confident | 66 | Low | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -28 | -178.4 | -42.4 | 175.8 | 0 | 0 | 0 | 110.7 | W523 N528 T529 V540 L541 V544 I584 L588 | W523-I526 HydrophobicContact CE3-CD1 4.43Å; W523-I526 HydrophobicContact CZ3-CD1 4.5Å; I526-N528 VanDerWaalsContact C-N 3.34Å; I526-T529 PolarHBondContact O-OG1 3.11Å; I526-V540 HydrophobicContact CD1-CG1 4.19Å; I526-V540 HydrophobicContact CG1-CG1 3.86Å; I526-L541 HydrophobicContact CD1-CD2 4.08Å; I526-V544 HydrophobicContact CD1-CG2 3.82Å; I526-I584 HydrophobicContact CB-CG2 3.91Å; I526-I584 HydrophobicContact CG2-CG2 3.36Å; I526-L588 HydrophobicContact CG2-CD1 3.85Å |
| 527 | R | 69.2 | Low | 66 | Low | 130 Ų | 130 | 45.2 Ų | 45.2 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.9 | -31.6 | 172.7 | -171.5 | -179.2 | -173.1 | 141.6 | 11.9 | 113.3 | W523 S524 L525 E580 I584 | W523-R527 PolarHBondContact O-N 2.96Å; S524-R527 PolarHBondContact O-N 3.35Å; L525-R527 PolarHBondContact O-N 2.79Å; R527-E580 IonicContact CZ-OE1 3.74Å; R527-E580 VanDerWaalsContact CZ-OE1 3.27Å; R527-E580 IonicContact CZ-OE2 3.18Å; R527-E580 IonicContact NH1-OE1 2.7Å; R527-E580 PolarHBondContact NH1-OE1 3.36Å; R527-E580 IonicContact NH1-OE2 2.7Å; R527-E580 PolarHBondContact NH1-OE2 3.43Å; R527-E580 IonicContact NH2-OE1 3.94Å; R527-E580 PolarHBondContact NH2-OE1 3.47Å; R527-E580 IonicContact NH2-OE2 3.27Å; R527-I584 HydrophobicContact CB-CD1 3.7Å; R527-I584 HydrophobicContact CG-CD1 4Å |
| 528 | N | 64.2 | Low | 66.1 | Low | 115 Ų | 115 | 42.6 Ų | 42.6 | 62% | 0.615 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -97.2 | -8.7 | -170.8 | -69 | -11.4 | 0 | 0 | 0 | 113.7 | S524 L525 I526 | S524-N528 VanDerWaalsContact O-CG 3.26Å; S524-N528 PolarHBondContact O-N 2.63Å; S524-N528 PolarHBondContact O-ND2 3.28Å; L525-N528 PolarHBondContact O-N 3.37Å; I526-N528 VanDerWaalsContact C-N 3.34Å |
| 529 | T | 58.8 | Low | 66.2 | Low | 27 Ų | 27 | 43.6 Ų | 43.6 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -63.8 | 125.9 | 174.2 | 11.8 | 0 | 0 | 0 | 0 | 111.2 | L525 I526 L533 T537 | L525-T529 PolarHBondContact O-N 3.25Å; L525-T529 PolarHBondContact O-OG1 3.15Å; I526-T529 PolarHBondContact O-OG1 3.11Å; T529-L533 HydrophobicContact CG2-CD2 4.4Å; T529-T537 HydrophobicContact CG2-CG2 4.13Å |
| 530 | P | 52.7 | Low | 66.4 | Low | 79 Ų | 79 | 43.1 Ų | 43.1 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | trans | -62.3 | 161.3 | 172.7 | 27.1 | -35 | 0 | 0 | 0 | 112.2 | E488 D532 | E488-P530 VanDerWaalsContact OE1-CD 3.31Å; E488-P530 WeakPolarHBondContact OE1-CD 3.42Å; P530-D532 VanDerWaalsContact C-N 3.26Å; P530-D532 PolarHBondContact O-N 2.78Å | ||
| 531 | S | 49.2 | Very low | 66.7 | Low | 82 Ų | 82 | 41.9 Ų | 41.9 | 57% | 0.573 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -65 | -20.7 | -169.4 | 50.9 | 0 | 0 | 0 | 0 | 115.6 | L533 | S531-L533 PolarHBondContact O-N 3.16Š|
| 532 | D | 51.9 | Low | 67.1 | Low | 151 Ų | 151 | 41.3 Ų | 41.3 | 81% | 0.807 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -81.5 | 71.6 | 169.9 | -73.5 | -33 | 0 | 0 | 0 | 109.4 | P530 S534 | P530-D532 VanDerWaalsContact C-N 3.26Å; P530-D532 PolarHBondContact O-N 2.78Å; D532-S534 PolarHBondContact O-N 3.44Å; D532-S534 VanDerWaalsContact O-N 3.09Å |
| 533 | L | 57 | Low | 67.4 | Low | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | trans | -66.4 | 106.3 | -171.4 | -70.2 | 152.7 | 0 | 0 | 0 | 111.4 | T529 S531 T537 L588 H591 | T529-L533 HydrophobicContact CG2-CD2 4.4Å; S531-L533 PolarHBondContact O-N 3.16Å; L533-T537 HydrophobicContact CB-CG2 4.35Å; L533-T537 HydrophobicContact CD2-CG2 3.78Å; L533-L588 HydrophobicContact CD1-CD2 3.77Å; L533-L588 HydrophobicContact CD1-CG 4.31Å; L533-L588 HydrophobicContact CD2-CD2 4.07Å; L533-L588 HydrophobicContact CG-CD2 4.36Å; L533-H591 PolarHBondContact O-NE2 2.76Å | ||
| 534 | S | 61.1 | Low | 67.6 | Low | 28 Ų | 28 | 41 Ų | 41 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | trans | -59.8 | 152.3 | 174.8 | 165.4 | 0 | 0 | 0 | 0 | 111.6 | E488 D532 S536 T537 | E488-S534 WeakPolarHBondContact OE2-CB 3.48Å; D532-S534 PolarHBondContact O-N 3.44Å; D532-S534 VanDerWaalsContact O-N 3.09Å; S534-S536 VanDerWaalsContact CB-OG 3.25Å; S534-S536 WeakPolarHBondContact CB-OG 3.32Å; S534-S536 PolarHBondContact O-N 3.29Å; S534-S536 PolarHBondContact O-OG 3.42Å; S534-S536 WeakPolarHBondContact OG-CB 3.42Å; S534-S536 PolarHBondContact OG-N 3.31Å; S534-S536 VanDerWaalsContact OG-N 3.12Å; S534-S536 PolarHBondContact OG-OG 3.4Å; S534-T537 WeakPolarHBondContact O-CG2 3.28Å; S534-T537 PolarHBondContact O-N 3.15Å; S534-T537 PolarHBondContact O-OG1 3.32Å | ||
| 535 | P | 57.4 | Low | 67.8 | Low | 44 Ų | 44 | 39.6 Ų | 39.6 | 29% | 0.286 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -41.2 | -27.1 | 161.9 | -31.8 | 36.7 | 0 | 0 | 0 | 114.9 | D356 T537 G538 | D356-P535 HydrophobicContact CB-CG 3.78Å; D356-P535 WeakPolarHBondContact O-CB 3.41Å; D356-P535 WeakPolarHBondContact O-CG 3.43Å; P535-T537 PolarHBondContact O-N 3.37Å; P535-G538 PolarHBondContact O-N 3.29Å; P535-G538 VanDerWaalsContact O-N 3.14Å |
| 536 | S | 61 | Low | 68.1 | Low | 10 Ų | 10 | 40.1 Ų | 40.1 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | -32.4 | 170.2 | 71.9 | 0 | 0 | 0 | 0 | 114.7 | E488 A492 S534 P539 | E488-S536 PolarHBondContact OE2-OG 3.5Å; A492-S536 VanDerWaalsContact CB-CA 3.46Å; A492-S536 WeakPolarHBondContact CB-O 3.41Å; S534-S536 VanDerWaalsContact CB-OG 3.25Å; S534-S536 WeakPolarHBondContact CB-OG 3.32Å; S534-S536 PolarHBondContact O-N 3.29Å; S534-S536 PolarHBondContact O-OG 3.42Å; S534-S536 WeakPolarHBondContact OG-CB 3.42Å; S534-S536 PolarHBondContact OG-N 3.31Å; S534-S536 VanDerWaalsContact OG-N 3.12Å; S534-S536 PolarHBondContact OG-OG 3.4Å; S536-P539 WeakPolarHBondContact O-CD 3.4Å |
| 537 | T | 68.5 | Low | 68.4 | Low | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.7 | -26.1 | -175.4 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | T529 L533 S534 P535 V540 L541 | T529-T537 HydrophobicContact CG2-CG2 4.13Å; L533-T537 HydrophobicContact CB-CG2 4.35Å; L533-T537 HydrophobicContact CD2-CG2 3.78Å; S534-T537 WeakPolarHBondContact O-CG2 3.28Å; S534-T537 PolarHBondContact O-N 3.15Å; S534-T537 PolarHBondContact O-OG1 3.32Å; P535-T537 PolarHBondContact O-N 3.37Å; T537-V540 PolarHBondContact O-N 3.32Å; T537-L541 WeakPolarHBondContact O-CG 3.2Å; T537-L541 PolarHBondContact O-N 3.26Å |
| 538 | G | 74.4 | Confident | 68.5 | Low | 7 Ų | 7 | 34.4 Ų | 34.4 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -51.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | P535 V540 L541 S542 | P535-G538 PolarHBondContact O-N 3.29Å; P535-G538 VanDerWaalsContact O-N 3.14Å; G538-V540 PolarHBondContact O-N 3.18Å; G538-L541 PolarHBondContact O-N 3.02Å; G538-S542 WeakPolarHBondContact O-CB 3.26Å; G538-S542 PolarHBondContact O-N 3.32Å; G538-S542 PolarHBondContact O-OG 3.31Å |
| 539 | P | 78 | Confident | 69 | Low | 29 Ų | 29 | 33.9 Ų | 33.9 | 19% | 0.188 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -40.3 | 172.1 | -28.8 | 35.9 | 0 | 0 | 0 | 114.1 | A495 S496 L499 S536 S542 L543 | A495-P539 HydrophobicContact CB-CB 4.2Å; S496-P539 WeakPolarHBondContact OG-CB 3.45Å; S496-P539 WeakPolarHBondContact OG-CG 3.35Å; L499-P539 HydrophobicContact CD1-CB 4.28Å; S536-P539 WeakPolarHBondContact O-CD 3.4Å; P539-S542 PolarHBondContact O-N 3.43Å; P539-L543 WeakPolarHBondContact O-CB 3.15Å; P539-L543 PolarHBondContact O-N 2.82Å |
| 540 | V | 79 | Confident | 69.6 | Low | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | -179.6 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | A495 V522 I526 T537 G538 L543 V544 | A495-V540 HydrophobicContact CB-CG2 3.94Å; V522-V540 HydrophobicContact CG1-CG1 4.18Å; I526-V540 HydrophobicContact CD1-CG1 4.19Å; I526-V540 HydrophobicContact CG1-CG1 3.86Å; T537-V540 PolarHBondContact O-N 3.32Å; G538-V540 PolarHBondContact O-N 3.18Å; V540-L543 WeakPolarHBondContact O-CB 3.36Å; V540-L543 PolarHBondContact O-N 3.34Å; V540-V544 PolarHBondContact O-N 2.97Å; V540-V544 VanDerWaalsContact O-N 3.11Å |
| 541 | L | 79.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 172.5 | -71.4 | 164.2 | 0 | 0 | 0 | 112.1 | I526 T537 G538 L543 V544 S545 L588 I596 T603 | I526-L541 HydrophobicContact CD1-CD2 4.08Å; T537-L541 WeakPolarHBondContact O-CG 3.2Å; T537-L541 PolarHBondContact O-N 3.26Å; G538-L541 PolarHBondContact O-N 3.02Å; L541-L543 VanDerWaalsContact C-N 3.26Å; L541-L543 PolarHBondContact O-N 2.83Å; L541-V544 PolarHBondContact O-N 3.37Å; L541-S545 PolarHBondContact O-N 3.2Å; L541-L588 HydrophobicContact CD1-CD1 3.92Å; L541-L588 HydrophobicContact CD1-CD2 4.09Å; L541-L588 HydrophobicContact CD1-CG 4.44Å; L541-L588 HydrophobicContact CD2-CD1 3.78Å; L541-L588 HydrophobicContact CG-CD1 4.3Å; L541-I596 HydrophobicContact CD1-CG2 4.32Å; L541-T603 HydrophobicContact CD2-CG2 4.49Å; L541-T603 PolarHBondContact O-OG1 3.36Å |
| 542 | S | 80.6 | Confident | 71 | Confident | 37 Ų | 37 | 28.9 Ų | 28.9 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | G538 P539 S545 A546 | G538-S542 WeakPolarHBondContact O-CB 3.26Å; G538-S542 PolarHBondContact O-N 3.32Å; G538-S542 PolarHBondContact O-OG 3.31Å; P539-S542 PolarHBondContact O-N 3.43Å; S542-S545 PolarHBondContact O-N 3.27Å; S542-A546 WeakPolarHBondContact O-CB 3.19Å; S542-A546 PolarHBondContact O-N 2.95Å |
| 543 | L | 82.3 | Confident | 71.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.6 | -179.6 | 68.2 | 0 | 0 | 0 | 110.9 | L457 A495 L498 I502 V522 P539 V540 L541 A546 L547 | L457-L543 HydrophobicContact CD2-CD2 3.99Å; A495-L543 HydrophobicContact CB-CB 4.48Å; A495-L543 HydrophobicContact CB-CD2 3.96Å; L498-L543 HydrophobicContact CB-CD1 3.99Å; L498-L543 HydrophobicContact CD1-CD1 4.44Å; L498-L543 HydrophobicContact CD1-CD2 4.48Å; I502-L543 HydrophobicContact CD1-CD1 3.26Å; V522-L543 HydrophobicContact CG1-CD2 4.36Å; V522-L543 HydrophobicContact CG2-CD2 4.23Å; P539-L543 WeakPolarHBondContact O-CB 3.15Å; P539-L543 PolarHBondContact O-N 2.82Å; V540-L543 WeakPolarHBondContact O-CB 3.36Å; V540-L543 PolarHBondContact O-N 3.34Å; L541-L543 VanDerWaalsContact C-N 3.26Å; L541-L543 PolarHBondContact O-N 2.83Å; L543-A546 PolarHBondContact O-N 3.34Å; L543-L547 HydrophobicContact CD1-CD1 4.42Å; L543-L547 HydrophobicContact CG-CD1 4.06Å; L543-L547 WeakPolarHBondContact O-CD1 3.47Å; L543-L547 WeakPolarHBondContact O-CG 3.33Å; L543-L547 PolarHBondContact O-N 2.98Å |
| 544 | V | 78.9 | Confident | 71.8 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V522 W523 I526 V540 L541 A546 L547 T548 T603 | V522-V544 HydrophobicContact CG1-CG2 3.47Å; V522-V544 VanDerWaalsContact CG1-CG2 3.47Å; W523-V544 HydrophobicContact CH2-CG1 3.94Å; W523-V544 HydrophobicContact CZ2-CG1 3.36Å; I526-V544 HydrophobicContact CD1-CG2 3.82Å; V540-V544 PolarHBondContact O-N 2.97Å; V540-V544 VanDerWaalsContact O-N 3.11Å; L541-V544 PolarHBondContact O-N 3.37Å; V544-A546 VanDerWaalsContact C-N 3.31Å; V544-A546 PolarHBondContact O-N 3Å; V544-L547 PolarHBondContact O-N 3.49Å; V544-T548 PolarHBondContact O-N 3.03Å; V544-T548 PolarHBondContact O-OG1 2.91Å; V544-T603 HydrophobicContact CB-CG2 4.07Å; V544-T603 HydrophobicContact CG1-CG2 3.66Å |
| 545 | S | 75.6 | Confident | 71.7 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 178.2 | -172.4 | 0 | 0 | 0 | 0 | 112.3 | L541 S542 K549 | L541-S545 PolarHBondContact O-N 3.2Å; S542-S545 PolarHBondContact O-N 3.27Å; S545-K549 WeakPolarHBondContact O-CB 3.41Å; S545-K549 VanDerWaalsContact O-CG 3.3Å; S545-K549 WeakPolarHBondContact O-CG 3.49Å; S545-K549 PolarHBondContact O-N 2.95Å |
| 546 | A | 79.2 | Confident | 71.6 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -47 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L499 I502 S542 L543 V544 K549 A550 | L499-A546 HydrophobicContact CD2-CB 4.3Å; I502-A546 HydrophobicContact CG2-CB 4.24Å; S542-A546 WeakPolarHBondContact O-CB 3.19Å; S542-A546 PolarHBondContact O-N 2.95Å; L543-A546 PolarHBondContact O-N 3.34Å; V544-A546 VanDerWaalsContact C-N 3.31Å; V544-A546 PolarHBondContact O-N 3Å; A546-K549 PolarHBondContact O-N 2.96Å; A546-A550 PolarHBondContact O-N 2.75Å |
| 547 | L | 77.5 | Confident | 71.1 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 177 | -65.5 | 163 | 0 | 0 | 0 | 111.6 | I502 W506 F518 V519 L543 V544 K549 A550 E551 | I502-L547 HydrophobicContact CD1-CD2 4.19Å; I502-L547 HydrophobicContact CD1-CG 4.48Å; W506-L547 HydrophobicContact CZ3-CD2 3.97Å; F518-L547 HydrophobicContact CD1-CD1 4.17Å; F518-L547 HydrophobicContact CD1-CD2 4.35Å; F518-L547 HydrophobicContact CE1-CD1 3.67Å; F518-L547 HydrophobicContact CE1-CD2 3.94Å; F518-L547 HydrophobicContact CE1-CG 4.45Å; V519-L547 HydrophobicContact CG2-CD1 4.49Å; L543-L547 HydrophobicContact CD1-CD1 4.42Å; L543-L547 HydrophobicContact CG-CD1 4.06Å; L543-L547 WeakPolarHBondContact O-CD1 3.47Å; L543-L547 WeakPolarHBondContact O-CG 3.33Å; L543-L547 PolarHBondContact O-N 2.98Å; V544-L547 PolarHBondContact O-N 3.49Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.49Å; L547-A550 PolarHBondContact O-N 2.78Å; L547-E551 PolarHBondContact O-N 3.48Å |
| 548 | T | 72.9 | Confident | 70.2 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | V544 M552 C606 | V544-T548 PolarHBondContact O-N 3.03Å; V544-T548 PolarHBondContact O-OG1 2.91Å; T548-M552 WeakPolarHBondContact O-CG 3.46Å; T548-M552 PolarHBondContact O-N 3.4Å; T548-M552 VanDerWaalsContact O-N 3.15Å; T548-C606 HydrophobicContact CG2-CB 4.11Å; T548-C606 WeakPolarHBondContact CG2-O 3.29Å |
| 549 | K | 74.4 | Confident | 68.9 | Low | 103 Ų | 103 | 46.3 Ų | 46.3 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 174.3 | -74.1 | 176.4 | -174.8 | -179.8 | 0 | 113.1 | S545 A546 L547 M552 G553 C606 | S545-K549 WeakPolarHBondContact O-CB 3.41Å; S545-K549 VanDerWaalsContact O-CG 3.3Å; S545-K549 WeakPolarHBondContact O-CG 3.49Å; S545-K549 PolarHBondContact O-N 2.95Å; A546-K549 PolarHBondContact O-N 2.96Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.49Å; K549-M552 WeakPolarHBondContact O-CB 3.31Å; K549-M552 PolarHBondContact O-N 3.3Å; K549-G553 PolarHBondContact O-N 2.87Å; K549-G553 VanDerWaalsContact O-N 3.16Å; K549-C606 WeakPolarHBondContact CE-SG 3.26Å |
| 550 | A | 71.7 | Confident | 67.1 | Low | 8 Ų | 8 | 52.8 Ų | 52.8 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I502 V507 A546 L547 G553 K554 | I502-A550 HydrophobicContact CG2-CB 4.39Å; V507-A550 HydrophobicContact CB-CB 4.5Å; V507-A550 HydrophobicContact CG2-CB 3.67Å; A546-A550 PolarHBondContact O-N 2.75Å; L547-A550 PolarHBondContact O-N 2.78Å; A550-G553 PolarHBondContact O-N 3.41Å; A550-K554 PolarHBondContact O-N 3.21Å |
| 551 | E | 68.2 | Low | 65.1 | Low | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 174.5 | 172.9 | 67.6 | -172.9 | 0 | 0 | 112.8 | Y515 L547 G553 K554 R555 | Y515-E551 HydrophobicContact CE1-CB 4.44Å; Y515-E551 HydrophobicContact CE1-CG 4.19Å; Y515-E551 VanDerWaalsContact OH-CB 3.27Å; Y515-E551 WeakPolarHBondContact OH-CB 3.34Å; L547-E551 PolarHBondContact O-N 3.48Å; E551-G553 VanDerWaalsContact C-N 3.32Å; E551-G553 PolarHBondContact O-N 3.3Å; E551-K554 PolarHBondContact O-N 3.06Å; E551-R555 PolarHBondContact O-N 2.93Å; E551-R555 VanDerWaalsContact O-N 3.13Å; E551-R555 IonicContact OE1-CZ 2.84Å; E551-R555 IonicContact OE1-NE 3.49Å; E551-R555 PolarHBondContact OE1-NE 3.28Å; E551-R555 VanDerWaalsContact OE1-NE 3.13Å; E551-R555 IonicContact OE1-NH2 2.8Å; E551-R555 PolarHBondContact OE1-NH2 3.47Å |
| 552 | M | 62.8 | Low | 62.8 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 170.3 | -72.8 | -81.6 | -83 | 0 | 0 | 111.5 | T548 K549 R555 Q556 E609 | T548-M552 WeakPolarHBondContact O-CG 3.46Å; T548-M552 PolarHBondContact O-N 3.4Å; T548-M552 VanDerWaalsContact O-N 3.15Å; K549-M552 WeakPolarHBondContact O-CB 3.31Å; K549-M552 PolarHBondContact O-N 3.3Å; M552-R555 PolarHBondContact O-N 3.03Å; M552-Q556 WeakPolarHBondContact O-CG 3.23Å; M552-Q556 PolarHBondContact O-N 3.35Å; M552-E609 HydrophobicContact CE-CB 4.28Å |
| 553 | G | 61.3 | Low | 60.4 | Low | 16 Ų | 16 | 70.7 Ų | 70.7 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | K549 A550 E551 R555 Q556 S557 | K549-G553 PolarHBondContact O-N 2.87Å; K549-G553 VanDerWaalsContact O-N 3.16Å; A550-G553 PolarHBondContact O-N 3.41Å; E551-G553 VanDerWaalsContact C-N 3.32Å; E551-G553 PolarHBondContact O-N 3.3Å; G553-R555 VanDerWaalsContact C-N 3.32Å; G553-R555 PolarHBondContact O-N 3.44Å; G553-Q556 PolarHBondContact O-N 2.95Å; G553-S557 PolarHBondContact O-N 2.99Å; G553-S557 VanDerWaalsContact O-N 3.09Å; G553-S557 PolarHBondContact O-OG 3.43Å |
| 554 | K | 64.4 | Low | 57.9 | Low | 41 Ų | 41 | 76.7 Ų | 76.7 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | 176.9 | -175.6 | 176.7 | 178.5 | 179.7 | 0 | 113 | V507 A550 E551 S557 S558 | V507-K554 HydrophobicContact CG1-CD 4.13Å; A550-K554 PolarHBondContact O-N 3.21Å; E551-K554 PolarHBondContact O-N 3.06Å; K554-S557 PolarHBondContact O-OG 2.88Å; K554-S557 VanDerWaalsContact O-OG 3.09Å; K554-S558 WeakPolarHBondContact O-CB 3.45Å; K554-S558 PolarHBondContact O-N 3.4Å; K554-S558 PolarHBondContact O-OG 3.27Å |
| 555 | R | 57.7 | Low | 55.7 | Low | 123 Ų | 123 | 84.1 Ų | 84.1 | 46% | 0.464 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.7 | -42.8 | 176.3 | -67.7 | 179.7 | -169.9 | -179.2 | 4 | 112.1 | E551 M552 G553 S557 S558 E559 | E551-R555 PolarHBondContact O-N 2.93Å; E551-R555 VanDerWaalsContact O-N 3.13Å; E551-R555 IonicContact OE1-CZ 2.84Å; E551-R555 IonicContact OE1-NE 3.49Å; E551-R555 PolarHBondContact OE1-NE 3.28Å; E551-R555 VanDerWaalsContact OE1-NE 3.13Å; E551-R555 IonicContact OE1-NH2 2.8Å; E551-R555 PolarHBondContact OE1-NH2 3.47Å; M552-R555 PolarHBondContact O-N 3.03Å; G553-R555 VanDerWaalsContact C-N 3.32Å; G553-R555 PolarHBondContact O-N 3.44Å; R555-S557 VanDerWaalsContact C-N 3.3Å; R555-S557 PolarHBondContact O-N 2.87Å; R555-S558 PolarHBondContact O-N 2.93Å; R555-S558 PolarHBondContact O-OG 3.25Å; R555-E559 PolarHBondContact O-N 3.32Å; R555-E559 VanDerWaalsContact O-N 3.12Å |
| 556 | Q | 55.5 | Low | 53.5 | Low | 146 Ų | 146 | 92.9 Ų | 92.9 | 68% | 0.682 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.3 | -30.8 | 179.1 | -70.4 | 179.6 | -4.1 | 0 | 0 | 113.1 | M552 G553 | M552-Q556 WeakPolarHBondContact O-CG 3.23Å; M552-Q556 PolarHBondContact O-N 3.35Å; G553-Q556 PolarHBondContact O-N 2.95Å |
| 557 | S | 51.7 | Low | 51.2 | Low | 75 Ų | 75 | 96.9 Ų | 96.9 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -79.1 | -33 | 174 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | G553 K554 R555 | G553-S557 PolarHBondContact O-N 2.99Å; G553-S557 VanDerWaalsContact O-N 3.09Å; G553-S557 PolarHBondContact O-OG 3.43Å; K554-S557 PolarHBondContact O-OG 2.88Å; K554-S557 VanDerWaalsContact O-OG 3.09Å; R555-S557 VanDerWaalsContact C-N 3.3Å; R555-S557 PolarHBondContact O-N 2.87Å |
| 558 | S | 49 | Very low | 49 | Very low | 68 Ų | 68 | 105 Ų | 105 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -84.1 | -20.5 | -176.9 | 50.4 | 0 | 0 | 0 | 0 | 114.9 | K554 R555 Q560 H561 | K554-S558 WeakPolarHBondContact O-CB 3.45Å; K554-S558 PolarHBondContact O-N 3.4Å; K554-S558 PolarHBondContact O-OG 3.27Å; R555-S558 PolarHBondContact O-N 2.93Å; R555-S558 PolarHBondContact O-OG 3.25Å; S558-Q560 PolarHBondContact O-N 3.04Å; S558-Q560 VanDerWaalsContact O-N 3.15Å; S558-H561 PolarHBondContact O-N 3.48Å; S558-H561 VanDerWaalsContact O-O 3.07Å |
| 559 | E | 47 | Very low | 47 | Very low | 174 Ų | 174 | 112.8 Ų | 112.8 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -6.9 | 177.9 | -77.7 | -169.6 | 166.5 | 0 | 0 | 115.3 | R555 | R555-E559 PolarHBondContact O-N 3.32Å; R555-E559 VanDerWaalsContact O-N 3.12Å |
| 560 | Q | 40.5 | Very low | 44.8 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 78% | 0.776 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -15 | 176.1 | -68.7 | -166.7 | -6.4 | 0 | 0 | 114.8 | S558 | S558-Q560 PolarHBondContact O-N 3.04Å; S558-Q560 VanDerWaalsContact O-N 3.15Å |
| 561 | H | 36.5 | Very low | 42.9 | Very low | 159 Ų | 159 | 120 Ų | 120 | 74% | 0.736 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -141.5 | 139.2 | 176.9 | -82.1 | -73.9 | 0 | 0 | 0 | 112.8 | S558 | S558-H561 PolarHBondContact O-N 3.48Å; S558-H561 VanDerWaalsContact O-O 3.07Å |
| 562 | N | 31.6 | Very low | 41.5 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 85% | 0.845 | 65% | 0.653 | S | S | * | * | trans | 81.3 | 79.4 | 178.2 | -55.1 | -23.4 | 0 | 0 | 0 | 116.8 | ||||
| 563 | S | 30.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -64.2 | 149.7 | 142.2 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 564 | T | 29.6 | Very low | 39.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | 78.3 | 93.1 | 172.8 | -18.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 565 | I | 32 | Very low | 38.4 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 82% | 0.815 | 72% | 0.723 | S | S | * | * | -163.7 | 127.4 | 118.7 | -92.3 | 147.5 | 0 | 0 | 0 | 107.1 | |||||
| 566 | K | 30.9 | Very low | 38.3 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -111 | 126.9 | 169 | -76.4 | -172.5 | 173 | -166.2 | 0 | 108.1 | ||||
| 567 | S | 30.7 | Very low | 38.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | -155.7 | 84.5 | 157.7 | 55.2 | 0 | 0 | 0 | 0 | 107.5 | E569 | S567-E569 PolarHBondContact O-N 2.85Š| ||
| 568 | E | 30.1 | Very low | 39.2 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | -82.9 | 103.5 | 170.2 | -67.9 | 175 | 112.2 | 0 | 0 | 108.5 | ||||
| 569 | E | 31 | Very low | 40 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | -160.1 | 151.9 | 160.5 | -106.2 | 150.1 | -150.9 | 0 | 0 | 107.4 | S567 | S567-E569 PolarHBondContact O-N 2.85Š| ||
| 570 | D | 28 | Very low | 41.1 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 85% | 0.85 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 74 | 33 | 172.9 | -59.6 | -16.4 | 0 | 0 | 0 | 122.5 | ||
| 571 | I | 33.4 | Very low | 42.7 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 54% | 0.538 | 63% | 0.627 | S | S | . | * | trans | -140.5 | 69.5 | 157.1 | -42.2 | 176.3 | 0 | 0 | 0 | 113.1 | ||||
| 572 | S | 37.7 | Very low | 44.4 | Very low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 59% | 0.594 | S | S | * | * | trans | -106.7 | -3.2 | -175.2 | 55.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 573 | I | 39.6 | Very low | 46.4 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 69% | 0.692 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -93.5 | -15.8 | -164.9 | -60.1 | 178.1 | 0 | 0 | 0 | 114.4 | ||
| 574 | Y | 35.9 | Very low | 48.4 | Very low | 145 Ų | 145 | 107.4 Ų | 107.4 | 57% | 0.569 | 54% | 0.543 | S | S | * | . | trans | -135.4 | 53 | -171.9 | -61.8 | -78.4 | 0 | 0 | 0 | 114.6 | N520 | N520-Y574 PolarHBondContact ND2-O 3.37Š| ||
| 575 | R | 48.6 | Very low | 50.6 | Low | 221 Ų | 221 | 101.3 Ų | 101.3 | 83% | 0.834 | 51% | 0.506 | S | S | * | . | trans | -100.8 | 102.6 | 167.8 | -79.2 | -176.5 | 174.3 | 166.1 | -0.2 | 110.4 | N577 | R575-N577 PolarHBondContact O-N 2.77Š| ||
| 576 | I | 54.1 | Low | 52.6 | Low | 43 Ų | 43 | 93.8 Ų | 93.8 | 22% | 0.221 | 47% | 0.467 | C | S | . | . | trans | -67.9 | 123.2 | 166.8 | -59.9 | 171 | 0 | 0 | 0 | 107.9 | N520 W523 E580 K581 | N520-I576 HydrophobicContact CB-CD1 4.34Å; N520-I576 WeakPolarHBondContact O-CD1 3.46Å; W523-I576 HydrophobicContact CB-CD1 3.63Å; I576-E580 HydrophobicContact CG2-CB 4.34Å; I576-K581 HydrophobicContact CG2-CD 4.47Å; I576-K581 HydrophobicContact CG2-CG 3.82Å | ||
| 577 | N | 61.6 | Low | 54.4 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | trans | -59.9 | 140.7 | -179.3 | -77.5 | -26.6 | 0 | 0 | 0 | 111.4 | R575 S579 E580 K581 | R575-N577 PolarHBondContact O-N 2.77Å; N577-S579 PolarHBondContact O-N 3.29Å; N577-E580 HydrophobicContact CB-CG 4.41Å; N577-E580 PolarHBondContact O-N 3.14Å; N577-K581 PolarHBondContact O-N 2.75Å | ||
| 578 | T | 65.5 | Low | 56.5 | Low | 46 Ų | 46 | 84.7 Ų | 84.7 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.1 | -33.4 | 179.1 | 42.7 | 0 | 0 | 0 | 0 | 112.4 | K581 I582 | T578-K581 PolarHBondContact O-N 3.27Å; T578-I582 WeakPolarHBondContact O-CD1 3.24Å; T578-I582 VanDerWaalsContact O-CG1 3.29Å; T578-I582 WeakPolarHBondContact O-CG1 3.41Å; T578-I582 PolarHBondContact O-N 3.37Å; T578-I582 VanDerWaalsContact O-N 3.11Å |
| 579 | S | 66.6 | Low | 58.7 | Low | 34 Ų | 34 | 76.5 Ų | 76.5 | 24% | 0.238 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.2 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | N577 K581 I582 M583 T622 | N577-S579 PolarHBondContact O-N 3.29Å; S579-K581 PolarHBondContact O-N 3.45Å; S579-I582 PolarHBondContact O-N 3.32Å; S579-M583 WeakPolarHBondContact O-CG 3.17Å; S579-M583 PolarHBondContact O-N 3.27Å; S579-T622 WeakPolarHBondContact CB-OG1 3.27Å |
| 580 | E | 69.7 | Low | 60.8 | Low | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 178 | -64.8 | -168.2 | 132.9 | 0 | 0 | 111.3 | R527 I576 N577 I582 M583 I584 | R527-E580 IonicContact CZ-OE1 3.74Å; R527-E580 VanDerWaalsContact CZ-OE1 3.27Å; R527-E580 IonicContact CZ-OE2 3.18Å; R527-E580 IonicContact NH1-OE1 2.7Å; R527-E580 PolarHBondContact NH1-OE1 3.36Å; R527-E580 IonicContact NH1-OE2 2.7Å; R527-E580 PolarHBondContact NH1-OE2 3.43Å; R527-E580 IonicContact NH2-OE1 3.94Å; R527-E580 PolarHBondContact NH2-OE1 3.47Å; R527-E580 IonicContact NH2-OE2 3.27Å; I576-E580 HydrophobicContact CG2-CB 4.34Å; N577-E580 HydrophobicContact CB-CG 4.41Å; N577-E580 PolarHBondContact O-N 3.14Å; E580-I582 VanDerWaalsContact C-N 3.31Å; E580-I582 PolarHBondContact O-N 2.95Å; E580-M583 PolarHBondContact O-N 2.71Å; E580-I584 WeakPolarHBondContact O-CD1 3.49Å; E580-I584 WeakPolarHBondContact O-CG1 3.4Å; E580-I584 PolarHBondContact O-N 3.12Å |
| 581 | K | 73.3 | Confident | 62.9 | Low | 33 Ų | 33 | 63.4 Ų | 63.4 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 177.1 | -65.2 | -176.3 | 178.1 | -170.2 | 0 | 111.9 | W523 I576 N577 T578 S579 I585 | W523-K581 HydrophobicContact CD2-CB 4.29Å; W523-K581 HydrophobicContact CD2-CD 3.77Å; W523-K581 HydrophobicContact CD2-CG 3.77Å; W523-K581 HydrophobicContact CE3-CB 3.92Å; W523-K581 HydrophobicContact CE3-CD 4.27Å; W523-K581 HydrophobicContact CE3-CG 3.79Å; W523-K581 HydrophobicContact CG-CD 4.09Å; W523-K581 HydrophobicContact CG-CG 4.25Å; W523-K581 HydrophobicContact CH2-CB 3.97Å; W523-K581 HydrophobicContact CH2-CG 4.46Å; W523-K581 HydrophobicContact CZ2-CB 4.31Å; W523-K581 HydrophobicContact CZ2-CD 4.06Å; W523-K581 HydrophobicContact CZ2-CG 4.43Å; W523-K581 HydrophobicContact CZ3-CB 3.75Å; W523-K581 HydrophobicContact CZ3-CG 4.15Å; I576-K581 HydrophobicContact CG2-CD 4.47Å; I576-K581 HydrophobicContact CG2-CG 3.82Å; N577-K581 PolarHBondContact O-N 2.75Å; T578-K581 PolarHBondContact O-N 3.27Å; S579-K581 PolarHBondContact O-N 3.45Å; K581-I585 WeakPolarHBondContact O-CG1 3.27Å; K581-I585 PolarHBondContact O-N 3.15Å |
| 582 | I | 73.5 | Confident | 64.6 | Low | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.1 | -39.4 | -178 | -62.6 | 161.8 | 0 | 0 | 0 | 111.2 | T578 S579 E580 I584 I585 T586 L604 V607 L618 I626 | T578-I582 WeakPolarHBondContact O-CD1 3.24Å; T578-I582 VanDerWaalsContact O-CG1 3.29Å; T578-I582 WeakPolarHBondContact O-CG1 3.41Å; T578-I582 PolarHBondContact O-N 3.37Å; T578-I582 VanDerWaalsContact O-N 3.11Å; S579-I582 PolarHBondContact O-N 3.32Å; E580-I582 VanDerWaalsContact C-N 3.31Å; E580-I582 PolarHBondContact O-N 2.95Å; I582-I584 VanDerWaalsContact C-N 3.32Å; I582-I584 PolarHBondContact O-N 3.38Å; I582-I585 PolarHBondContact O-N 3.49Å; I582-T586 WeakPolarHBondContact O-CB 3.39Å; I582-T586 PolarHBondContact O-N 2.89Å; I582-T586 PolarHBondContact O-OG1 2.91Å; I582-L604 HydrophobicContact CG2-CD1 3.82Å; I582-V607 HydrophobicContact CG1-CG1 4.33Å; I582-L618 HydrophobicContact CD1-CD2 3.85Å; I582-I626 HydrophobicContact CB-CD1 4.44Å; I582-I626 HydrophobicContact CD1-CD1 4.38Å; I582-I626 HydrophobicContact CG2-CD1 3.46Å; I582-I626 VanDerWaalsContact CG2-CD1 3.46Å; I582-I626 HydrophobicContact CG2-CG1 3.45Å; I582-I626 VanDerWaalsContact CG2-CG1 3.45Å |
| 583 | M | 72.6 | Confident | 66 | Low | 82 Ų | 82 | 61 Ų | 61 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 175.9 | -75.4 | -174 | 64.8 | 0 | 0 | 111.7 | S579 E580 I585 T586 E587 I625 | S579-M583 WeakPolarHBondContact O-CG 3.17Å; S579-M583 PolarHBondContact O-N 3.27Å; E580-M583 PolarHBondContact O-N 2.71Å; M583-I585 PolarHBondContact O-N 3.03Å; M583-T586 WeakPolarHBondContact O-CB 3.29Å; M583-T586 PolarHBondContact O-N 2.7Å; M583-E587 PolarHBondContact O-N 3.16Å; M583-I625 HydrophobicContact CE-CD1 4.03Å; M583-I625 HydrophobicContact SD-CD1 4.29Å |
| 584 | I | 71.6 | Confident | 67.7 | Low | 25 Ų | 25 | 57.7 Ų | 57.7 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 177.9 | -64.6 | 160.9 | 0 | 0 | 0 | 111.5 | I526 R527 E580 I582 T586 E587 | I526-I584 HydrophobicContact CB-CG2 3.91Å; I526-I584 HydrophobicContact CG2-CG2 3.36Å; R527-I584 HydrophobicContact CB-CD1 3.7Å; R527-I584 HydrophobicContact CG-CD1 4Å; E580-I584 WeakPolarHBondContact O-CD1 3.49Å; E580-I584 WeakPolarHBondContact O-CG1 3.4Å; E580-I584 PolarHBondContact O-N 3.12Å; I582-I584 VanDerWaalsContact C-N 3.32Å; I582-I584 PolarHBondContact O-N 3.38Å; I584-T586 PolarHBondContact O-N 3.3Å; I584-E587 PolarHBondContact O-N 3.1Å |
| 585 | I | 76.8 | Confident | 69.5 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -31.4 | 177 | -56.5 | 160.8 | 0 | 0 | 0 | 111.6 | W523 K581 I582 M583 E587 L588 L589 S600 T603 L604 V607 | W523-I585 HydrophobicContact CH2-CD1 3.58Å; W523-I585 HydrophobicContact CH2-CG1 3.93Å; W523-I585 HydrophobicContact CZ3-CD1 4.09Å; W523-I585 HydrophobicContact CZ3-CG1 3.97Å; K581-I585 WeakPolarHBondContact O-CG1 3.27Å; K581-I585 PolarHBondContact O-N 3.15Å; I582-I585 PolarHBondContact O-N 3.49Å; M583-I585 PolarHBondContact O-N 3.03Å; I585-E587 VanDerWaalsContact C-N 3.35Å; I585-E587 PolarHBondContact O-N 3.15Å; I585-L588 WeakPolarHBondContact O-CB 3.43Å; I585-L588 PolarHBondContact O-N 2.75Å; I585-L589 PolarHBondContact O-N 3.44Å; I585-S600 WeakPolarHBondContact CG2-O 3.48Å; I585-T603 HydrophobicContact CD1-CG2 4.28Å; I585-L604 HydrophobicContact CD1-CD1 4.29Å; I585-L604 HydrophobicContact CG2-CB 3.86Å; I585-L604 HydrophobicContact CG2-CD1 4.38Å; I585-V607 HydrophobicContact CD1-CG2 4.13Å |
| 586 | T | 72.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -32.3 | -173.7 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | I582 M583 I584 L589 I625 N629 | I582-T586 WeakPolarHBondContact O-CB 3.39Å; I582-T586 PolarHBondContact O-N 2.89Å; I582-T586 PolarHBondContact O-OG1 2.91Å; M583-T586 WeakPolarHBondContact O-CB 3.29Å; M583-T586 PolarHBondContact O-N 2.7Å; I584-T586 PolarHBondContact O-N 3.3Å; T586-L589 HydrophobicContact CG2-CD1 4.24Å; T586-L589 WeakPolarHBondContact O-CB 3.25Å; T586-L589 PolarHBondContact O-N 3.45Å; T586-I625 HydrophobicContact CG2-CG2 4.3Å; T586-N629 HydrophobicContact CG2-CB 3.28Å; T586-N629 VanDerWaalsContact CG2-ND2 3.3Å; T586-N629 WeakPolarHBondContact CG2-ND2 3.37Å |
| 587 | E | 69.7 | Low | 72 | Confident | 109 Ų | 109 | 42.6 Ų | 42.6 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 173.8 | -66.2 | 177.5 | 168.3 | 0 | 0 | 111.2 | M583 I584 I585 L589 H590 | M583-E587 PolarHBondContact O-N 3.16Å; I584-E587 PolarHBondContact O-N 3.1Å; I585-E587 VanDerWaalsContact C-N 3.35Å; I585-E587 PolarHBondContact O-N 3.15Å; E587-L589 PolarHBondContact O-N 2.79Å; E587-L589 VanDerWaalsContact O-N 3.14Å; E587-H590 PolarHBondContact O-N 3.05Å |
| 588 | L | 74.4 | Confident | 72.9 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -18.8 | 179.2 | -72.1 | 152.8 | 0 | 0 | 0 | 114.5 | I526 L533 L541 I585 H590 H591 I596 S600 | I526-L588 HydrophobicContact CG2-CD1 3.85Å; L533-L588 HydrophobicContact CD1-CD2 3.77Å; L533-L588 HydrophobicContact CD1-CG 4.31Å; L533-L588 HydrophobicContact CD2-CD2 4.07Å; L533-L588 HydrophobicContact CG-CD2 4.36Å; L541-L588 HydrophobicContact CD1-CD1 3.92Å; L541-L588 HydrophobicContact CD1-CD2 4.09Å; L541-L588 HydrophobicContact CD1-CG 4.44Å; L541-L588 HydrophobicContact CD2-CD1 3.78Å; L541-L588 HydrophobicContact CG-CD1 4.3Å; I585-L588 WeakPolarHBondContact O-CB 3.43Å; I585-L588 PolarHBondContact O-N 2.75Å; L588-H590 PolarHBondContact O-N 2.83Å; L588-H590 VanDerWaalsContact O-N 3.15Å; L588-H591 WeakPolarHBondContact O-CB 3.25Å; L588-H591 PolarHBondContact O-N 3.09Å; L588-I596 HydrophobicContact CD2-CG2 4.29Å; L588-S600 WeakPolarHBondContact CB-OG 3.27Å |
| 589 | L | 76.8 | Confident | 73.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.2 | 175.4 | -63.2 | 176.9 | 0 | 0 | 0 | 113.2 | I585 T586 E587 R597 L601 L604 N629 L630 R633 | I585-L589 PolarHBondContact O-N 3.44Å; T586-L589 HydrophobicContact CG2-CD1 4.24Å; T586-L589 WeakPolarHBondContact O-CB 3.25Å; T586-L589 PolarHBondContact O-N 3.45Å; E587-L589 PolarHBondContact O-N 2.79Å; E587-L589 VanDerWaalsContact O-N 3.14Å; L589-R597 VanDerWaalsContact O-CD 3.26Å; L589-R597 WeakPolarHBondContact O-CD 3.32Å; L589-R597 WeakPolarHBondContact O-CG 3.46Å; L589-L601 HydrophobicContact CD2-CD2 3.6Å; L589-L601 HydrophobicContact CD2-CG 3.74Å; L589-L604 HydrophobicContact CD1-CD2 4.34Å; L589-L604 HydrophobicContact CD2-CD2 4.48Å; L589-N629 HydrophobicContact CD1-CB 4.43Å; L589-L630 HydrophobicContact CD1-CD2 3.81Å; L589-L630 HydrophobicContact CD1-CG 4.33Å; L589-R633 WeakPolarHBondContact O-CD 3.42Å; L589-R633 PolarHBondContact O-NH1 3.31Å |
| 590 | H | 73.7 | Confident | 74.3 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.6 | -176 | -68.1 | 92.4 | 0 | 0 | 0 | 114.4 | E587 L588 N629 | E587-H590 PolarHBondContact O-N 3.05Å; L588-H590 PolarHBondContact O-N 2.83Å; L588-H590 VanDerWaalsContact O-N 3.15Å; H590-N629 PolarHBondContact CE1-O 3.16Å; H590-N629 PolarHBondContact CE1-OD1 3.23Å; H590-N629 VanDerWaalsContact CE1-OD1 3.32Å |
| 591 | H | 72.6 | Confident | 75 | Confident | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.153 | 20% | 0.198 | C | C | . | . | trans | -56.3 | 151.2 | 179.1 | -165 | -87.7 | 0 | 0 | 0 | 113.8 | L533 L588 S593 I596 R597 | L533-H591 PolarHBondContact O-NE2 2.76Å; L588-H591 WeakPolarHBondContact O-CB 3.25Å; L588-H591 PolarHBondContact O-N 3.09Å; H591-S593 VanDerWaalsContact CE1-CB 3.45Å; H591-S593 WeakPolarHBondContact CE1-CB 3.5Å; H591-S593 WeakPolarHBondContact ND1-CB 3.47Å; H591-S593 PolarHBondContact ND1-N 2.86Å; H591-I596 HydrophobicContact CB-CB 4.26Å; H591-I596 HydrophobicContact CB-CG2 3.69Å; H591-I596 VanDerWaalsContact CE1-CD1 3.47Å; H591-I596 WeakPolarHBondContact CE1-CD1 3.38Å; H591-R597 HydrophobicContact CB-CG 4.38Å; H591-R597 VanDerWaalsContact O-CD 3.26Å; H591-R597 WeakPolarHBondContact O-CD 3.45Å; H591-R597 WeakPolarHBondContact O-CG 3.43Å; H591-R597 PolarHBondContact O-NH1 3.23Å | ||
| 592 | V | 68.6 | Low | 75.5 | Confident | 127 Ų | 127 | 36.9 Ų | 36.9 | 77% | 0.77 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -66.7 | -39.5 | -177.2 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | R597 | V592-R597 VanDerWaalsContact C-NH1 3.29Å; V592-R597 PolarHBondContact O-NH1 3.35Å |
| 593 | S | 69 | Low | 75.8 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -75.3 | 132.1 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | H591 S595 R597 | H591-S593 VanDerWaalsContact CE1-CB 3.45Å; H591-S593 WeakPolarHBondContact CE1-CB 3.5Å; H591-S593 WeakPolarHBondContact ND1-CB 3.47Å; H591-S593 PolarHBondContact ND1-N 2.86Å; S593-S595 VanDerWaalsContact C-N 3.3Å; S593-S595 PolarHBondContact O-N 3.46Å; S593-S595 PolarHBondContact OG-N 2.73Å; S593-S595 PolarHBondContact OG-OG 2.88Å; S593-R597 WeakPolarHBondContact O-CG 3.46Å; S593-R597 PolarHBondContact O-N 2.97Å; S593-R597 PolarHBondContact O-NH1 3.36Å |
| 594 | S | 75.1 | Confident | 76.3 | Confident | 65 Ų | 65 | 32.6 Ų | 32.6 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.4 | -30 | 175.5 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | R597 Q598 | S594-R597 PolarHBondContact O-N 3.06Å; S594-Q598 WeakPolarHBondContact O-CB 3.22Å; S594-Q598 PolarHBondContact O-N 3.41Å |
| 595 | S | 72.3 | Confident | 76.8 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 47% | 0.469 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.2 | -40.5 | 179.5 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | S593 Q598 S599 | S593-S595 VanDerWaalsContact C-N 3.3Å; S593-S595 PolarHBondContact O-N 3.46Å; S593-S595 PolarHBondContact OG-N 2.73Å; S593-S595 PolarHBondContact OG-OG 2.88Å; S595-Q598 PolarHBondContact O-N 3.47Å; S595-S599 VanDerWaalsContact O-CB 3.32Å; S595-S599 WeakPolarHBondContact O-CB 3.46Å; S595-S599 PolarHBondContact O-N 2.89Å; S595-S599 PolarHBondContact O-OG 3.05Å |
| 596 | I | 75.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | 174.4 | -73.3 | 169.2 | 0 | 0 | 0 | 110.6 | L541 L588 H591 Q598 S599 S600 | L541-I596 HydrophobicContact CD1-CG2 4.32Å; L588-I596 HydrophobicContact CD2-CG2 4.29Å; H591-I596 HydrophobicContact CB-CB 4.26Å; H591-I596 HydrophobicContact CB-CG2 3.69Å; H591-I596 VanDerWaalsContact CE1-CD1 3.47Å; H591-I596 WeakPolarHBondContact CE1-CD1 3.38Å; I596-Q598 PolarHBondContact O-N 3.07Å; I596-S599 PolarHBondContact O-N 3.28Å; I596-S600 WeakPolarHBondContact O-CB 3.12Å; I596-S600 PolarHBondContact O-N 3.3Å; I596-S600 PolarHBondContact O-OG 3.19Å |
| 597 | R | 80.7 | Confident | 76.9 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.9 | -65.8 | -166.4 | -56.9 | -90.2 | 4.7 | 112.8 | L589 H591 V592 S593 S594 S600 L601 R633 E637 | L589-R597 VanDerWaalsContact O-CD 3.26Å; L589-R597 WeakPolarHBondContact O-CD 3.32Å; L589-R597 WeakPolarHBondContact O-CG 3.46Å; H591-R597 HydrophobicContact CB-CG 4.38Å; H591-R597 VanDerWaalsContact O-CD 3.26Å; H591-R597 WeakPolarHBondContact O-CD 3.45Å; H591-R597 WeakPolarHBondContact O-CG 3.43Å; H591-R597 PolarHBondContact O-NH1 3.23Å; V592-R597 VanDerWaalsContact C-NH1 3.29Å; V592-R597 PolarHBondContact O-NH1 3.35Å; S593-R597 WeakPolarHBondContact O-CG 3.46Å; S593-R597 PolarHBondContact O-N 2.97Å; S593-R597 PolarHBondContact O-NH1 3.36Å; S594-R597 PolarHBondContact O-N 3.06Å; R597-S600 PolarHBondContact O-N 2.67Å; R597-L601 WeakPolarHBondContact O-CB 3.41Å; R597-L601 WeakPolarHBondContact O-CD1 3.36Å; R597-L601 WeakPolarHBondContact O-CG 3.32Å; R597-L601 PolarHBondContact O-N 3.01Å; R597-R633 VanDerWaalsContact CD-NH1 3.31Å; R597-E637 IonicContact NE-OE2 2.94Å; R597-E637 PolarHBondContact NE-OE2 2.97Å; R597-E637 IonicContact NH2-OE1 3.48Å; R597-E637 IonicContact NH2-OE2 3.82Å |
| 598 | Q | 80.9 | Confident | 77.2 | Confident | 82 Ų | 82 | 30.5 Ų | 30.5 | 38% | 0.383 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64 | -41 | 175.8 | -173.4 | 175.8 | -4.6 | 0 | 0 | 111.4 | S594 S595 I596 L601 N602 I642 | S594-Q598 WeakPolarHBondContact O-CB 3.22Å; S594-Q598 PolarHBondContact O-N 3.41Å; S595-Q598 PolarHBondContact O-N 3.47Å; I596-Q598 PolarHBondContact O-N 3.07Å; Q598-L601 PolarHBondContact O-N 3.31Å; Q598-N602 WeakPolarHBondContact O-CB 3.43Å; Q598-N602 PolarHBondContact O-N 2.94Å; Q598-N602 PolarHBondContact O-ND2 3.29Å; Q598-I642 HydrophobicContact CB-CD1 4.38Å |
| 599 | S | 78.1 | Confident | 77 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.8 | -57 | 0 | 0 | 0 | 0 | 112 | S595 I596 N602 T603 | S595-S599 VanDerWaalsContact O-CB 3.32Å; S595-S599 WeakPolarHBondContact O-CB 3.46Å; S595-S599 PolarHBondContact O-N 2.89Å; S595-S599 PolarHBondContact O-OG 3.05Å; I596-S599 PolarHBondContact O-N 3.28Å; S599-N602 PolarHBondContact O-N 2.92Å; S599-T603 WeakPolarHBondContact O-CB 3.42Å; S599-T603 PolarHBondContact O-N 3.32Å; S599-T603 PolarHBondContact O-OG1 3.39Å |
| 600 | S | 82.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | I585 L588 I596 R597 T603 L604 | I585-S600 WeakPolarHBondContact CG2-O 3.48Å; L588-S600 WeakPolarHBondContact CB-OG 3.27Å; I596-S600 WeakPolarHBondContact O-CB 3.12Å; I596-S600 PolarHBondContact O-N 3.3Å; I596-S600 PolarHBondContact O-OG 3.19Å; R597-S600 PolarHBondContact O-N 2.67Å; S600-T603 PolarHBondContact O-N 3.13Å; S600-L604 VanDerWaalsContact O-CB 3.3Å; S600-L604 WeakPolarHBondContact O-CB 3.49Å; S600-L604 PolarHBondContact O-N 2.84Å |
| 601 | L | 84.3 | Confident | 76.1 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 176.3 | -73 | 161.7 | 0 | 0 | 0 | 112.7 | L589 R597 Q598 T603 L604 Q605 L630 I642 V646 L649 | L589-L601 HydrophobicContact CD2-CD2 3.6Å; L589-L601 HydrophobicContact CD2-CG 3.74Å; R597-L601 WeakPolarHBondContact O-CB 3.41Å; R597-L601 WeakPolarHBondContact O-CD1 3.36Å; R597-L601 WeakPolarHBondContact O-CG 3.32Å; R597-L601 PolarHBondContact O-N 3.01Å; Q598-L601 PolarHBondContact O-N 3.31Å; L601-T603 VanDerWaalsContact C-N 3.32Å; L601-L604 PolarHBondContact O-N 2.98Å; L601-Q605 WeakPolarHBondContact O-CB 3.4Å; L601-Q605 PolarHBondContact O-N 3.2Å; L601-L630 HydrophobicContact CD2-CD2 3.99Å; L601-I642 HydrophobicContact CD1-CG2 3.48Å; L601-I642 VanDerWaalsContact CD1-CG2 3.48Å; L601-V646 HydrophobicContact CD1-CG2 3.41Å; L601-V646 VanDerWaalsContact CD1-CG2 3.41Å; L601-V646 HydrophobicContact CD2-CB 4.4Å; L601-V646 HydrophobicContact CD2-CG1 4.45Å; L601-V646 HydrophobicContact CD2-CG2 3.72Å; L601-V646 HydrophobicContact CG-CG2 4.22Å; L601-L649 HydrophobicContact CD2-CD2 4.15Å |
| 602 | N | 83.2 | Confident | 75.4 | Confident | 50 Ų | 50 | 39 Ų | 39 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 173.4 | -72.7 | -20.2 | 0 | 0 | 0 | 111.2 | Q598 S599 C606 | Q598-N602 WeakPolarHBondContact O-CB 3.43Å; Q598-N602 PolarHBondContact O-N 2.94Å; Q598-N602 PolarHBondContact O-ND2 3.29Å; S599-N602 PolarHBondContact O-N 2.92Å; N602-C606 WeakPolarHBondContact O-CB 3.49Å; N602-C606 PolarHBondContact O-N 3.33Å; N602-C606 PolarHBondContact O-SG 3.47Å |
| 603 | T | 81.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -45.4 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | L541 V544 I585 S599 S600 L601 Q605 C606 V607 | L541-T603 HydrophobicContact CD2-CG2 4.49Å; L541-T603 PolarHBondContact O-OG1 3.36Å; V544-T603 HydrophobicContact CB-CG2 4.07Å; V544-T603 HydrophobicContact CG1-CG2 3.66Å; I585-T603 HydrophobicContact CD1-CG2 4.28Å; S599-T603 WeakPolarHBondContact O-CB 3.42Å; S599-T603 PolarHBondContact O-N 3.32Å; S599-T603 PolarHBondContact O-OG1 3.39Å; S600-T603 PolarHBondContact O-N 3.13Å; L601-T603 VanDerWaalsContact C-N 3.32Å; T603-Q605 PolarHBondContact O-N 2.94Å; T603-C606 PolarHBondContact O-N 2.91Å; T603-V607 HydrophobicContact CG2-CG2 4.45Å; T603-V607 WeakPolarHBondContact O-CB 3.29Å; T603-V607 VanDerWaalsContact O-CG2 3.3Å; T603-V607 WeakPolarHBondContact O-CG2 3.49Å; T603-V607 PolarHBondContact O-N 2.85Å |
| 604 | L | 82.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 175.7 | -172.7 | 58.8 | 0 | 0 | 0 | 111.5 | I582 I585 L589 S600 L601 V607 I608 L630 L649 | I582-L604 HydrophobicContact CG2-CD1 3.82Å; I585-L604 HydrophobicContact CD1-CD1 4.29Å; I585-L604 HydrophobicContact CG2-CB 3.86Å; I585-L604 HydrophobicContact CG2-CD1 4.38Å; L589-L604 HydrophobicContact CD1-CD2 4.34Å; L589-L604 HydrophobicContact CD2-CD2 4.48Å; S600-L604 VanDerWaalsContact O-CB 3.3Å; S600-L604 WeakPolarHBondContact O-CB 3.49Å; S600-L604 PolarHBondContact O-N 2.84Å; L601-L604 PolarHBondContact O-N 2.98Å; L604-V607 PolarHBondContact O-N 2.8Å; L604-I608 HydrophobicContact CD1-CD1 3.94Å; L604-I608 HydrophobicContact CD1-CG1 4.5Å; L604-I608 HydrophobicContact CG-CD1 3.83Å; L604-I608 WeakPolarHBondContact O-CB 3.43Å; L604-I608 WeakPolarHBondContact O-CD1 3.41Å; L604-I608 VanDerWaalsContact O-CG1 3.24Å; L604-I608 WeakPolarHBondContact O-CG1 3.39Å; L604-I608 PolarHBondContact O-N 2.94Å; L604-L630 HydrophobicContact CD2-CD1 4.43Å; L604-L630 HydrophobicContact CD2-CD2 3.97Å; L604-L649 HydrophobicContact CB-CD2 4.22Å; L604-L649 HydrophobicContact CD2-CD2 3.91Å; L604-L649 HydrophobicContact CG-CD2 4.03Å |
| 605 | Q | 82 | Confident | 73.3 | Confident | 47 Ų | 47 | 41.3 Ų | 41.3 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 175.1 | -178.2 | 176.6 | -13.1 | 0 | 0 | 111.6 | L601 T603 V607 I608 E609 L649 | L601-Q605 WeakPolarHBondContact O-CB 3.4Å; L601-Q605 PolarHBondContact O-N 3.2Å; T603-Q605 PolarHBondContact O-N 2.94Å; Q605-V607 PolarHBondContact O-N 3.31Å; Q605-I608 PolarHBondContact O-N 3.44Å; Q605-E609 HydrophobicContact CG-CG 4.28Å; Q605-E609 WeakPolarHBondContact CG-OE1 3.4Å; Q605-E609 PolarHBondContact NE2-OE1 3.34Å; Q605-E609 WeakPolarHBondContact O-CB 3.37Å; Q605-E609 WeakPolarHBondContact O-CG 3.48Å; Q605-E609 PolarHBondContact O-N 2.95Å; Q605-L649 HydrophobicContact CB-CD1 3.88Å; Q605-L649 HydrophobicContact CB-CD2 4.4Å; Q605-L649 HydrophobicContact CG-CD1 4.13Å |
| 606 | C | 76 | Confident | 72.5 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 179.9 | -67.6 | 0 | 0 | 0 | 0 | 113.1 | T548 K549 N602 T603 S610 | T548-C606 HydrophobicContact CG2-CB 4.11Å; T548-C606 WeakPolarHBondContact CG2-O 3.29Å; K549-C606 WeakPolarHBondContact CE-SG 3.26Å; N602-C606 WeakPolarHBondContact O-CB 3.49Å; N602-C606 PolarHBondContact O-N 3.33Å; N602-C606 PolarHBondContact O-SG 3.47Å; T603-C606 PolarHBondContact O-N 2.91Å; C606-S610 VanDerWaalsContact O-CB 3.31Å; C606-S610 WeakPolarHBondContact O-CB 3.47Å; C606-S610 PolarHBondContact O-N 3.4Å; C606-S610 PolarHBondContact O-OG 3.48Å |
| 607 | V | 76.5 | Confident | 71.6 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 174.2 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | W523 I582 I585 T603 L604 Q605 S610 C611 | W523-V607 HydrophobicContact CH2-CG2 4.01Å; W523-V607 HydrophobicContact CZ2-CG2 3.8Å; I582-V607 HydrophobicContact CG1-CG1 4.33Å; I585-V607 HydrophobicContact CD1-CG2 4.13Å; T603-V607 HydrophobicContact CG2-CG2 4.45Å; T603-V607 WeakPolarHBondContact O-CB 3.29Å; T603-V607 VanDerWaalsContact O-CG2 3.3Å; T603-V607 WeakPolarHBondContact O-CG2 3.49Å; T603-V607 PolarHBondContact O-N 2.85Å; L604-V607 PolarHBondContact O-N 2.8Å; Q605-V607 PolarHBondContact O-N 3.31Å; V607-S610 PolarHBondContact O-N 3.08Å; V607-S610 PolarHBondContact O-OG 2.61Å; V607-C611 WeakPolarHBondContact O-CB 3.29Å; V607-C611 PolarHBondContact O-N 2.84Å; V607-C611 PolarHBondContact O-SG 3.3Å; V607-C611 VanDerWaalsContact O-SG 3.33Å |
| 608 | I | 74.3 | Confident | 70.9 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 178.1 | -69.4 | 161.8 | 0 | 0 | 0 | 111.5 | L604 Q605 S610 C611 E612 I615 L649 I653 | L604-I608 HydrophobicContact CD1-CD1 3.94Å; L604-I608 HydrophobicContact CD1-CG1 4.5Å; L604-I608 HydrophobicContact CG-CD1 3.83Å; L604-I608 WeakPolarHBondContact O-CB 3.43Å; L604-I608 WeakPolarHBondContact O-CD1 3.41Å; L604-I608 VanDerWaalsContact O-CG1 3.24Å; L604-I608 WeakPolarHBondContact O-CG1 3.39Å; L604-I608 PolarHBondContact O-N 2.94Å; Q605-I608 PolarHBondContact O-N 3.44Å; I608-S610 VanDerWaalsContact C-N 3.31Å; I608-S610 PolarHBondContact O-N 2.91Å; I608-C611 CarbonylContact O-C 3.6Å; I608-C611 WeakPolarHBondContact O-CA 3.47Å; I608-C611 PolarHBondContact O-N 3.46Å; I608-E612 PolarHBondContact O-N 3.41Å; I608-I615 HydrophobicContact CG2-CD1 3.8Å; I608-L649 HydrophobicContact CD1-CD1 3.98Å; I608-I653 HydrophobicContact CD1-CD1 3.63Å; I608-I653 HydrophobicContact CD1-CG1 3.75Å |
| 609 | E | 72.1 | Confident | 70.4 | Confident | 52 Ų | 52 | 48 Ų | 48 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -33.9 | 177.8 | -72.4 | 172.5 | 170.3 | 0 | 0 | 111.9 | M552 Q605 C611 K652 | M552-E609 HydrophobicContact CE-CB 4.28Å; Q605-E609 HydrophobicContact CG-CG 4.28Å; Q605-E609 WeakPolarHBondContact CG-OE1 3.4Å; Q605-E609 PolarHBondContact NE2-OE1 3.34Å; Q605-E609 WeakPolarHBondContact O-CB 3.37Å; Q605-E609 WeakPolarHBondContact O-CG 3.48Å; Q605-E609 PolarHBondContact O-N 2.95Å; E609-C611 PolarHBondContact O-N 3.06Å; E609-K652 IonicContact OE1-NZ 3.35Å; E609-K652 PolarHBondContact OE1-NZ 3.23Å |
| 610 | S | 66.9 | Low | 70.1 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.3 | -12.9 | 173 | 76.5 | 0 | 0 | 0 | 0 | 114.5 | C606 V607 I608 | C606-S610 VanDerWaalsContact O-CB 3.31Å; C606-S610 WeakPolarHBondContact O-CB 3.47Å; C606-S610 PolarHBondContact O-N 3.4Å; C606-S610 PolarHBondContact O-OG 3.48Å; V607-S610 PolarHBondContact O-N 3.08Å; V607-S610 PolarHBondContact O-OG 2.61Å; I608-S610 VanDerWaalsContact C-N 3.31Å; I608-S610 PolarHBondContact O-N 2.91Å |
| 611 | C | 63.5 | Low | 69.7 | Low | 25 Ų | 25 | 52.9 Ų | 52.9 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 17.6 | -175.2 | -71.8 | 0 | 0 | 0 | 0 | 113.1 | V607 I608 E609 N613 Q614 I615 | V607-C611 WeakPolarHBondContact O-CB 3.29Å; V607-C611 PolarHBondContact O-N 2.84Å; V607-C611 PolarHBondContact O-SG 3.3Å; V607-C611 VanDerWaalsContact O-SG 3.33Å; I608-C611 CarbonylContact O-C 3.6Å; I608-C611 WeakPolarHBondContact O-CA 3.47Å; I608-C611 PolarHBondContact O-N 3.46Å; E609-C611 PolarHBondContact O-N 3.06Å; C611-N613 PolarHBondContact O-N 2.85Å; C611-N613 VanDerWaalsContact O-N 3.08Å; C611-Q614 HydrophobicContact CB-CB 4.48Å; C611-Q614 CarbonylContact O-C 3.57Å; C611-Q614 WeakPolarHBondContact O-CA 3.48Å; C611-Q614 PolarHBondContact O-N 3.08Å; C611-I615 PolarHBondContact O-N 3.45Å; C611-I615 VanDerWaalsContact O-N 3.09Å |
| 612 | E | 58.7 | Low | 69.2 | Low | 136 Ų | 136 | 53.1 Ų | 53.1 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -50.3 | -39.7 | -175.5 | -80.2 | -175.1 | 156 | 0 | 0 | 113.8 | I608 Q614 | I608-E612 PolarHBondContact O-N 3.41Å; E612-Q614 VanDerWaalsContact C-N 3.27Å; E612-Q614 PolarHBondContact O-N 3.36Å |
| 613 | N | 55.2 | Low | 69.1 | Low | 152 Ų | 152 | 50.9 Ų | 50.9 | 81% | 0.813 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -79.2 | 2.9 | 176.3 | -64.5 | -28.7 | 0 | 0 | 0 | 115 | C611 | C611-N613 PolarHBondContact O-N 2.85Å; C611-N613 VanDerWaalsContact O-N 3.08Å |
| 614 | Q | 54.7 | Low | 69 | Low | 109 Ų | 109 | 52.8 Ų | 52.8 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -127.2 | -2.5 | -178.8 | -73 | -170.4 | -13.7 | 0 | 0 | 113.8 | C611 E612 E616 S617 | C611-Q614 HydrophobicContact CB-CB 4.48Å; C611-Q614 CarbonylContact O-C 3.57Å; C611-Q614 WeakPolarHBondContact O-CA 3.48Å; C611-Q614 PolarHBondContact O-N 3.08Å; E612-Q614 VanDerWaalsContact C-N 3.27Å; E612-Q614 PolarHBondContact O-N 3.36Å; Q614-E616 PolarHBondContact O-N 3.39Å; Q614-S617 WeakPolarHBondContact O-CB 3.38Å; Q614-S617 PolarHBondContact O-N 3.13Å; Q614-S617 PolarHBondContact O-OG 3.37Å |
| 615 | I | 57.4 | Low | 68.8 | Low | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -59.8 | -30.3 | 173.6 | -65.6 | 168.9 | 0 | 0 | 0 | 110.8 | I608 C611 S617 L618 A656 | I608-I615 HydrophobicContact CG2-CD1 3.8Å; C611-I615 PolarHBondContact O-N 3.45Å; C611-I615 VanDerWaalsContact O-N 3.09Å; I615-S617 PolarHBondContact O-N 2.94Å; I615-S617 VanDerWaalsContact O-N 3.1Å; I615-L618 HydrophobicContact CG2-CD1 4.21Å; I615-L618 PolarHBondContact O-N 2.88Å; I615-A656 HydrophobicContact CB-CB 4.43Å; I615-A656 HydrophobicContact CD1-CB 3.71Å; I615-A656 HydrophobicContact CG2-CB 3.8Å |
| 616 | E | 56 | Low | 68.7 | Low | 154 Ų | 154 | 53 Ų | 53 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -59.8 | -13.4 | 171.2 | -59.6 | -174.3 | 159.8 | 0 | 0 | 114.2 | Q614 | Q614-E616 PolarHBondContact O-N 3.39Š|
| 617 | S | 57.3 | Low | 69.1 | Low | 82 Ų | 82 | 52.6 Ų | 52.6 | 57% | 0.573 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -106.7 | 3.7 | -177.9 | 70.9 | 0 | 0 | 0 | 0 | 115 | Q614 I615 S619 | Q614-S617 WeakPolarHBondContact O-CB 3.38Å; Q614-S617 PolarHBondContact O-N 3.13Å; Q614-S617 PolarHBondContact O-OG 3.37Å; I615-S617 PolarHBondContact O-N 2.94Å; I615-S617 VanDerWaalsContact O-N 3.1Å; S617-S619 PolarHBondContact O-N 3.44Å |
| 618 | L | 64.8 | Low | 69.4 | Low | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | trans | -72.2 | 126.3 | 177.4 | -72.8 | 168.8 | 0 | 0 | 0 | 111.1 | I582 I615 T622 | I582-L618 HydrophobicContact CD1-CD2 3.85Å; I615-L618 HydrophobicContact CG2-CD1 4.21Å; I615-L618 PolarHBondContact O-N 2.88Å; L618-T622 HydrophobicContact CD2-CG2 4.27Å | ||
| 619 | S | 70.5 | Confident | 69.8 | Low | 56 Ų | 56 | 51.3 Ų | 51.3 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | trans | -64.7 | 149.5 | 175.3 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | S617 D621 T622 L623 | S617-S619 PolarHBondContact O-N 3.44Å; S619-D621 VanDerWaalsContact C-N 3.25Å; S619-D621 PolarHBondContact O-N 3.29Å; S619-T622 WeakPolarHBondContact O-CB 3.18Å; S619-T622 PolarHBondContact O-N 3.33Å; S619-T622 PolarHBondContact OG-N 3.43Å; S619-T622 PolarHBondContact OG-OG1 3.4Å; S619-L623 PolarHBondContact O-N 3.03Å | ||
| 620 | A | 72.7 | Confident | 70.5 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.7 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T622 L623 H624 C661 E664 A665 | A620-T622 PolarHBondContact O-N 3.49Å; A620-L623 PolarHBondContact O-N 2.95Å; A620-H624 WeakPolarHBondContact O-CB 3.47Å; A620-H624 PolarHBondContact O-N 3.3Å; A620-C661 HydrophobicContact CB-CB 4.43Å; A620-E664 HydrophobicContact CB-CB 3.8Å; A620-E664 HydrophobicContact CB-CG 3.71Å; A620-A665 VanDerWaalsContact O-CB 3.27Å; A620-A665 WeakPolarHBondContact O-CB 3.25Å |
| 621 | D | 74.7 | Confident | 71.5 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 176.1 | -62.8 | -42.8 | 0 | 0 | 0 | 112.6 | S619 H624 I625 | S619-D621 VanDerWaalsContact C-N 3.25Å; S619-D621 PolarHBondContact O-N 3.29Å; D621-H624 PolarHBondContact O-N 3.3Å; D621-I625 WeakPolarHBondContact O-CG1 3.31Å; D621-I625 PolarHBondContact O-N 3.22Å |
| 622 | T | 74.2 | Confident | 72.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 177.9 | -49.2 | 0 | 0 | 0 | 0 | 110.2 | S579 L618 S619 A620 H624 I625 I626 | S579-T622 WeakPolarHBondContact CB-OG1 3.27Å; L618-T622 HydrophobicContact CD2-CG2 4.27Å; S619-T622 WeakPolarHBondContact O-CB 3.18Å; S619-T622 PolarHBondContact O-N 3.33Å; S619-T622 PolarHBondContact OG-N 3.43Å; S619-T622 PolarHBondContact OG-OG1 3.4Å; A620-T622 PolarHBondContact O-N 3.49Å; T622-H624 VanDerWaalsContact C-N 3.32Å; T622-H624 PolarHBondContact O-N 2.79Å; T622-I625 PolarHBondContact O-N 2.85Å; T622-I626 HydrophobicContact CG2-CD1 4.05Å; T622-I626 WeakPolarHBondContact O-CD1 3.34Å; T622-I626 VanDerWaalsContact O-CG1 3.26Å; T622-I626 WeakPolarHBondContact O-CG1 3.32Å; T622-I626 PolarHBondContact O-N 2.98Å; T622-I626 VanDerWaalsContact O-N 3.14Å |
| 623 | L | 79.4 | Confident | 73.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.5 | -174.8 | 61.4 | 0 | 0 | 0 | 112.1 | S619 A620 L627 I653 A657 C661 L662 A665 | S619-L623 PolarHBondContact O-N 3.03Å; A620-L623 PolarHBondContact O-N 2.95Å; L623-L627 HydrophobicContact CD1-CD1 4.14Å; L623-L627 HydrophobicContact CD1-CG 4.3Å; L623-L627 HydrophobicContact CG-CD1 4.05Å; L623-L627 WeakPolarHBondContact O-CB 3.22Å; L623-L627 VanDerWaalsContact O-CG 3.29Å; L623-L627 WeakPolarHBondContact O-CG 3.49Å; L623-L627 PolarHBondContact O-N 3.49Å; L623-L627 VanDerWaalsContact O-N 3.08Å; L623-I653 HydrophobicContact CD1-CG2 3.84Å; L623-A657 HydrophobicContact CD1-CB 4.19Å; L623-A657 HydrophobicContact CD2-CB 3.79Å; L623-C661 HydrophobicContact CD2-CB 4.44Å; L623-L662 HydrophobicContact CD2-CB 4.11Å; L623-L662 HydrophobicContact CD2-CD1 3.98Å; L623-A665 HydrophobicContact CB-CB 4.09Å; L623-A665 HydrophobicContact CD2-CB 4.23Å; L623-A665 HydrophobicContact CG-CB 4.12Å |
| 624 | H | 81 | Confident | 75.3 | Confident | 40 Ų | 40 | 33 Ų | 33 | 19% | 0.185 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 174.1 | 165.9 | -109.1 | 0 | 0 | 0 | 111.5 | A620 D621 T622 I626 L627 D628 A665 R669 | A620-H624 WeakPolarHBondContact O-CB 3.47Å; A620-H624 PolarHBondContact O-N 3.3Å; D621-H624 PolarHBondContact O-N 3.3Å; T622-H624 VanDerWaalsContact C-N 3.32Å; T622-H624 PolarHBondContact O-N 2.79Å; H624-I626 PolarHBondContact O-N 3.11Å; H624-L627 PolarHBondContact O-N 3.4Å; H624-D628 IonicContact CD2-OD2 3.89Å; H624-D628 IonicContact CE1-OD2 3.61Å; H624-D628 PolarHBondContact CE1-OD2 3.42Å; H624-D628 VanDerWaalsContact CE1-OD2 3.28Å; H624-D628 IonicContact NE2-OD1 3.62Å; H624-D628 IonicContact NE2-OD2 3.7Å; H624-D628 PolarHBondContact NE2-OD2 3.08Å; H624-D628 WeakPolarHBondContact O-CB 3.33Å; H624-D628 PolarHBondContact O-N 2.89Å; H624-A665 HydrophobicContact CB-CB 3.94Å; H624-A665 PolarHBondContact CD2-O 2.87Å; H624-A665 VanDerWaalsContact CD2-O 3.26Å; H624-R669 VanDerWaalsContact NE2-CG 3.31Å; H624-R669 WeakPolarHBondContact NE2-CG 3.36Å; H624-R669 PolarHBondContact NE2-NE 3.48Å |
| 625 | I | 77.6 | Confident | 76.7 | Confident | 47 Ų | 47 | 27.9 Ų | 27.9 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | -178.8 | -65.8 | 166.6 | 0 | 0 | 0 | 111.7 | M583 T586 D621 T622 N629 | M583-I625 HydrophobicContact CE-CD1 4.03Å; M583-I625 HydrophobicContact SD-CD1 4.29Å; T586-I625 HydrophobicContact CG2-CG2 4.3Å; D621-I625 WeakPolarHBondContact O-CG1 3.31Å; D621-I625 PolarHBondContact O-N 3.22Å; T622-I625 PolarHBondContact O-N 2.85Å; I625-N629 PolarHBondContact O-N 2.8Å; I625-N629 PolarHBondContact O-ND2 3.17Å |
| 626 | I | 79.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 177.4 | -67.3 | 161.6 | 0 | 0 | 0 | 110.7 | I582 T622 H624 N629 L630 I653 | I582-I626 HydrophobicContact CB-CD1 4.44Å; I582-I626 HydrophobicContact CD1-CD1 4.38Å; I582-I626 HydrophobicContact CG2-CD1 3.46Å; I582-I626 VanDerWaalsContact CG2-CD1 3.46Å; I582-I626 HydrophobicContact CG2-CG1 3.45Å; I582-I626 VanDerWaalsContact CG2-CG1 3.45Å; T622-I626 HydrophobicContact CG2-CD1 4.05Å; T622-I626 WeakPolarHBondContact O-CD1 3.34Å; T622-I626 VanDerWaalsContact O-CG1 3.26Å; T622-I626 WeakPolarHBondContact O-CG1 3.32Å; T622-I626 PolarHBondContact O-N 2.98Å; T622-I626 VanDerWaalsContact O-N 3.14Å; H624-I626 PolarHBondContact O-N 3.11Å; I626-N629 PolarHBondContact O-N 3.2Å; I626-L630 HydrophobicContact CG2-CD1 3.66Å; I626-L630 HydrophobicContact CG2-CG 4.4Å; I626-L630 WeakPolarHBondContact O-CB 3.11Å; I626-L630 WeakPolarHBondContact O-CG 3.42Å; I626-L630 PolarHBondContact O-N 3.21Å; I626-I653 HydrophobicContact CG2-CD1 3.99Å |
| 627 | L | 84.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.1 | -40.9 | -176.9 | -67.6 | 174.1 | 0 | 0 | 0 | 111.9 | L623 H624 N629 F631 T650 I653 I654 L662 W673 | L623-L627 HydrophobicContact CD1-CD1 4.14Å; L623-L627 HydrophobicContact CD1-CG 4.3Å; L623-L627 HydrophobicContact CG-CD1 4.05Å; L623-L627 WeakPolarHBondContact O-CB 3.22Å; L623-L627 VanDerWaalsContact O-CG 3.29Å; L623-L627 WeakPolarHBondContact O-CG 3.49Å; L623-L627 PolarHBondContact O-N 3.49Å; L623-L627 VanDerWaalsContact O-N 3.08Å; H624-L627 PolarHBondContact O-N 3.4Å; L627-N629 VanDerWaalsContact C-N 3.33Å; L627-N629 PolarHBondContact O-N 2.95Å; L627-F631 WeakPolarHBondContact O-CB 3.44Å; L627-F631 PolarHBondContact O-N 3.25Å; L627-T650 HydrophobicContact CD2-CG2 4.02Å; L627-I653 HydrophobicContact CD2-CG2 4.3Å; L627-I654 HydrophobicContact CD2-CD1 4.24Å; L627-I654 HydrophobicContact CD2-CG1 3.87Å; L627-L662 HydrophobicContact CD1-CD1 3.8Å; L627-W673 HydrophobicContact CB-CH2 3.8Å; L627-W673 HydrophobicContact CB-CZ2 4.1Å |
| 628 | D | 83 | Confident | 80 | Confident | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.032 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.7 | -46.9 | 175.9 | -110.5 | -6.1 | 0 | 0 | 0 | 111.1 | H624 L632 R669 W673 V691 | H624-D628 IonicContact CD2-OD2 3.89Å; H624-D628 IonicContact CE1-OD2 3.61Å; H624-D628 PolarHBondContact CE1-OD2 3.42Å; H624-D628 VanDerWaalsContact CE1-OD2 3.28Å; H624-D628 IonicContact NE2-OD1 3.62Å; H624-D628 IonicContact NE2-OD2 3.7Å; H624-D628 PolarHBondContact NE2-OD2 3.08Å; H624-D628 WeakPolarHBondContact O-CB 3.33Å; H624-D628 PolarHBondContact O-N 2.89Å; D628-L632 WeakPolarHBondContact O-CB 3.09Å; D628-L632 PolarHBondContact O-N 3Å; D628-L632 VanDerWaalsContact O-N 3.11Å; D628-R669 IonicContact OD1-NE 3.93Å; D628-R669 PolarHBondContact OD1-NE 3.39Å; D628-R669 IonicContact OD2-CZ 2.61Å; D628-R669 IonicContact OD2-NE 2.6Å; D628-R669 PolarHBondContact OD2-NE 2.91Å; D628-R669 IonicContact OD2-NH2 2.79Å; D628-R669 PolarHBondContact OD2-NH2 2.69Å; D628-R669 VanDerWaalsContact OD2-NH2 3.16Å; D628-W673 HydrophobicContact CB-CZ2 4.42Å; D628-W673 VanDerWaalsContact OD1-CE2 3.28Å; D628-W673 VanDerWaalsContact OD1-CZ2 3.32Å; D628-W673 WeakPolarHBondContact OD1-CZ2 3.14Å; D628-W673 PolarHBondContact OD1-NE1 3.49Å; D628-V691 HydrophobicContact CB-CG2 3.96Å |
| 629 | N | 82.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -77.1 | -41.4 | -176 | -78.8 | -75.4 | 0 | 0 | 0 | 113.6 | T586 L589 H590 I625 I626 L627 F631 L632 R633 | T586-N629 HydrophobicContact CG2-CB 3.28Å; T586-N629 VanDerWaalsContact CG2-ND2 3.3Å; T586-N629 WeakPolarHBondContact CG2-ND2 3.37Å; L589-N629 HydrophobicContact CD1-CB 4.43Å; H590-N629 PolarHBondContact CE1-O 3.16Å; H590-N629 PolarHBondContact CE1-OD1 3.23Å; H590-N629 VanDerWaalsContact CE1-OD1 3.32Å; I625-N629 PolarHBondContact O-N 2.8Å; I625-N629 PolarHBondContact O-ND2 3.17Å; I626-N629 PolarHBondContact O-N 3.2Å; L627-N629 VanDerWaalsContact C-N 3.33Å; L627-N629 PolarHBondContact O-N 2.95Å; N629-F631 VanDerWaalsContact C-N 3.32Å; N629-F631 PolarHBondContact O-N 2.76Å; N629-L632 PolarHBondContact O-N 3.48Å; N629-R633 PolarHBondContact O-N 2.71Å |
| 630 | L | 86.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 175 | -72.9 | 173.8 | 0 | 0 | 0 | 111.2 | L589 L601 L604 I626 R633 I634 V646 T650 I653 | L589-L630 HydrophobicContact CD1-CD2 3.81Å; L589-L630 HydrophobicContact CD1-CG 4.33Å; L601-L630 HydrophobicContact CD2-CD2 3.99Å; L604-L630 HydrophobicContact CD2-CD1 4.43Å; L604-L630 HydrophobicContact CD2-CD2 3.97Å; I626-L630 HydrophobicContact CG2-CD1 3.66Å; I626-L630 HydrophobicContact CG2-CG 4.4Å; I626-L630 WeakPolarHBondContact O-CB 3.11Å; I626-L630 WeakPolarHBondContact O-CG 3.42Å; I626-L630 PolarHBondContact O-N 3.21Å; L630-R633 PolarHBondContact O-N 3.1Å; L630-I634 WeakPolarHBondContact O-CG1 3.22Å; L630-I634 PolarHBondContact O-N 2.88Å; L630-V646 HydrophobicContact CB-CG1 4.38Å; L630-V646 HydrophobicContact CD2-CG1 3.94Å; L630-T650 HydrophobicContact CB-CG2 4.29Å; L630-T650 HydrophobicContact CD1-CG2 4.48Å; L630-I653 HydrophobicContact CD1-CD1 3.41Å; L630-I653 VanDerWaalsContact CD1-CD1 3.41Å |
| 631 | F | 87.9 | Confident | 80.9 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 177.1 | -167.2 | -102.7 | 0 | 0 | 0 | 112.1 | L627 N629 R633 I634 L635 W673 V677 A772 V775 L776 | L627-F631 WeakPolarHBondContact O-CB 3.44Å; L627-F631 PolarHBondContact O-N 3.25Å; N629-F631 VanDerWaalsContact C-N 3.32Å; N629-F631 PolarHBondContact O-N 2.76Å; F631-R633 VanDerWaalsContact C-N 3.34Å; F631-R633 PolarHBondContact O-N 3.08Å; F631-I634 PolarHBondContact O-N 2.69Å; F631-L635 HydrophobicContact CD1-CD1 3.94Å; F631-L635 HydrophobicContact CE1-CD1 3.72Å; F631-L635 HydrophobicContact CE1-CG 4.47Å; F631-L635 PolarHBondContact O-N 3.04Å; F631-W673 HydrophobicContact CD1-CB 3.99Å; F631-W673 AromaticContact CD1-CD1 3.5Å; F631-W673 HydrophobicContact CD1-CD2 4.37Å; F631-W673 AromaticContact CD1-CG 3.7Å; F631-W673 HydrophobicContact CD1-CG 3.7Å; F631-W673 HydrophobicContact CE1-CB 3.52Å; F631-W673 AromaticContact CE1-CD1 3.91Å; F631-W673 AromaticContact CE1-CG 3.78Å; F631-W673 HydrophobicContact CE1-CG 3.78Å; F631-W673 HydrophobicContact CG-CG 4.32Å; F631-W673 HydrophobicContact CZ-CB 3.98Å; F631-W673 HydrophobicContact CZ-CG 4.46Å; F631-V677 HydrophobicContact CE1-CG2 4Å; F631-V677 HydrophobicContact CZ-CG2 3.5Å; F631-V677 VanDerWaalsContact CZ-CG2 3.5Å; F631-A772 HydrophobicContact CE2-CB 3.88Å; F631-A772 HydrophobicContact CZ-CB 3.96Å; F631-V775 HydrophobicContact CD2-CB 4.46Å; F631-V775 HydrophobicContact CD2-CG1 4.05Å; F631-V775 HydrophobicContact CE2-CB 4.48Å; F631-V775 HydrophobicContact CE2-CG1 4.41Å; F631-L776 HydrophobicContact CE2-CD1 4.31Å; F631-L776 HydrophobicContact CE2-CD2 4.02Å; F631-L776 HydrophobicContact CE2-CG 3.75Å; F631-L776 HydrophobicContact CZ-CD1 3.89Å; F631-L776 HydrophobicContact CZ-CD2 4.02Å; F631-L776 HydrophobicContact CZ-CG 3.8Å |
| 632 | L | 85 | Confident | 81.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 174.3 | -174.5 | 59.2 | 0 | 0 | 0 | 111.8 | D628 N629 I634 L635 L636 L690 V691 L694 | D628-L632 WeakPolarHBondContact O-CB 3.09Å; D628-L632 PolarHBondContact O-N 3Å; D628-L632 VanDerWaalsContact O-N 3.11Å; N629-L632 PolarHBondContact O-N 3.48Å; L632-I634 PolarHBondContact O-N 3.21Å; L632-L635 PolarHBondContact O-N 3.19Å; L632-L635 VanDerWaalsContact O-N 3.14Å; L632-L636 HydrophobicContact CD1-CD1 3.9Å; L632-L636 HydrophobicContact CD1-CG 4.12Å; L632-L636 HydrophobicContact CG-CD1 3.88Å; L632-L636 HydrophobicContact CG-CG 4.39Å; L632-L636 WeakPolarHBondContact O-CG 3.22Å; L632-L636 PolarHBondContact O-N 2.93Å; L632-L690 HydrophobicContact CD1-CD2 4.13Å; L632-L690 HydrophobicContact CD2-CD2 4.3Å; L632-V691 HydrophobicContact CD2-CG2 4.05Å; L632-L694 HydrophobicContact CD2-CD1 3.66Å |
| 633 | R | 84.8 | Confident | 81.8 | Confident | 15 Ų | 15 | 16.6 Ų | 16.6 | 6% | 0.057 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 174.5 | -171.1 | 76.4 | -126.3 | 151.5 | 2.2 | 112.3 | L589 R597 N629 L630 F631 L635 L636 E637 V646 | L589-R633 WeakPolarHBondContact O-CD 3.42Å; L589-R633 PolarHBondContact O-NH1 3.31Å; R597-R633 VanDerWaalsContact CD-NH1 3.31Å; N629-R633 PolarHBondContact O-N 2.71Å; L630-R633 PolarHBondContact O-N 3.1Å; F631-R633 VanDerWaalsContact C-N 3.34Å; F631-R633 PolarHBondContact O-N 3.08Å; R633-L635 PolarHBondContact O-N 3.28Å; R633-L636 PolarHBondContact O-N 2.93Å; R633-E637 IonicContact CZ-OE2 2.78Å; R633-E637 IonicContact NE-OE2 3.28Å; R633-E637 PolarHBondContact NE-OE2 3.14Å; R633-E637 IonicContact NH2-OE1 2.69Å; R633-E637 IonicContact NH2-OE2 2.9Å; R633-E637 PolarHBondContact NH2-OE2 3.36Å; R633-E637 VanDerWaalsContact O-CB 3.25Å; R633-E637 WeakPolarHBondContact O-CB 2.96Å; R633-E637 PolarHBondContact O-N 2.97Å; R633-V646 HydrophobicContact CB-CG1 4.23Å; R633-V646 HydrophobicContact CG-CG1 4.31Å; R633-V646 HydrophobicContact CG-CG2 3.84Å |
| 634 | I | 86.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 176.7 | -67 | 170 | 0 | 0 | 0 | 111.6 | L630 F631 L632 V646 T768 A772 V775 | L630-I634 WeakPolarHBondContact O-CG1 3.22Å; L630-I634 PolarHBondContact O-N 2.88Å; F631-I634 PolarHBondContact O-N 2.69Å; L632-I634 PolarHBondContact O-N 3.21Å; I634-V646 HydrophobicContact CD1-CG1 4.06Å; I634-V646 HydrophobicContact CG1-CB 3.97Å; I634-V646 HydrophobicContact CG1-CG1 3.46Å; I634-V646 VanDerWaalsContact CG1-CG1 3.46Å; I634-T768 WeakPolarHBondContact O-CG2 3.37Å; I634-A772 HydrophobicContact CG2-CB 4.12Å; I634-V775 HydrophobicContact CD1-CG2 3.68Å |
| 635 | L | 84.6 | Confident | 82 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.6 | -28.8 | 178.8 | -68.8 | 169.9 | 0 | 0 | 0 | 113.4 | F631 L632 R633 Q676 V677 G749 A772 | F631-L635 HydrophobicContact CD1-CD1 3.94Å; F631-L635 HydrophobicContact CE1-CD1 3.72Å; F631-L635 HydrophobicContact CE1-CG 4.47Å; F631-L635 PolarHBondContact O-N 3.04Å; L632-L635 PolarHBondContact O-N 3.19Å; L632-L635 VanDerWaalsContact O-N 3.14Å; R633-L635 PolarHBondContact O-N 3.28Å; L635-Q676 HydrophobicContact CD1-CB 3.83Å; L635-V677 HydrophobicContact CD2-CG2 4.19Å; L635-G749 PolarHBondContact O-N 3.26Å; L635-A772 HydrophobicContact CD2-CB 3.9Å; L635-A772 HydrophobicContact CG-CB 4.5Å |
| 636 | L | 82.5 | Confident | 82.4 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -101.3 | -11.3 | -175 | -62.2 | -177.6 | 0 | 0 | 0 | 115.1 | L632 R633 P638 Y685 Y746 C747 G750 | L632-L636 HydrophobicContact CD1-CD1 3.9Å; L632-L636 HydrophobicContact CD1-CG 4.12Å; L632-L636 HydrophobicContact CG-CD1 3.88Å; L632-L636 HydrophobicContact CG-CG 4.39Å; L632-L636 WeakPolarHBondContact O-CG 3.22Å; L632-L636 PolarHBondContact O-N 2.93Å; R633-L636 PolarHBondContact O-N 2.93Å; L636-P638 VanDerWaalsContact O-CD 3.23Å; L636-P638 WeakPolarHBondContact O-CD 3.07Å; L636-Y685 HydrophobicContact CD2-CD2 4.33Å; L636-Y685 HydrophobicContact CD2-CE2 4.17Å; L636-Y746 HydrophobicContact CD1-CD1 4.11Å; L636-Y746 HydrophobicContact CD1-CG 4.4Å; L636-Y746 HydrophobicContact CD2-CD1 4.28Å; L636-Y746 HydrophobicContact CD2-CG 4.42Å; L636-C747 WeakPolarHBondContact CD2-O 3.49Å; L636-G750 WeakPolarHBondContact O-CA 3.46Å; L636-G750 PolarHBondContact O-N 3.39Å |
| 637 | E | 83.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -81 | 117 | -173.5 | -174.6 | 61.1 | -112.7 | 0 | 0 | 113.6 | R597 R633 C639 I642 R643 | R597-E637 IonicContact NE-OE2 2.94Å; R597-E637 PolarHBondContact NE-OE2 2.97Å; R597-E637 IonicContact NH2-OE1 3.48Å; R597-E637 IonicContact NH2-OE2 3.82Å; R633-E637 IonicContact CZ-OE2 2.78Å; R633-E637 IonicContact NE-OE2 3.28Å; R633-E637 PolarHBondContact NE-OE2 3.14Å; R633-E637 IonicContact NH2-OE1 2.69Å; R633-E637 IonicContact NH2-OE2 2.9Å; R633-E637 PolarHBondContact NH2-OE2 3.36Å; R633-E637 VanDerWaalsContact O-CB 3.25Å; R633-E637 WeakPolarHBondContact O-CB 2.96Å; R633-E637 PolarHBondContact O-N 2.97Å; E637-C639 HydrophobicContact CG-CB 4.35Å; E637-C639 VanDerWaalsContact OE1-CB 3.25Å; E637-C639 WeakPolarHBondContact OE1-CB 3.46Å; E637-C639 PolarHBondContact OE1-N 2.96Å; E637-C639 VanDerWaalsContact OE1-N 3.12Å; E637-I642 HydrophobicContact CG-CB 3.93Å; E637-I642 HydrophobicContact CG-CG2 3.94Å; E637-I642 WeakPolarHBondContact OE2-CG2 3.34Å; E637-R643 HydrophobicContact CB-CB 4.19Å; E637-R643 HydrophobicContact CG-CB 3.92Å | ||
| 638 | P | 75.2 | Confident | 82.6 | Confident | 21 Ų | 21 | 21.7 Ų | 21.7 | 14% | 0.136 | 13% | 0.132 | C | C | . | . | trans | -77.2 | -27.7 | 171.9 | 30.9 | -36.5 | 0 | 0 | 0 | 113.3 | L636 T640 Q752 | L636-P638 VanDerWaalsContact O-CD 3.23Å; L636-P638 WeakPolarHBondContact O-CD 3.07Å; P638-T640 PolarHBondContact O-N 3.2Å; P638-Q752 VanDerWaalsContact CB-OE1 3.31Å; P638-Q752 VanDerWaalsContact CG-OE1 3.23Å | ||
| 639 | C | 78 | Confident | 82.7 | Confident | 47 Ų | 47 | 21.6 Ų | 21.6 | 32% | 0.318 | 13% | 0.131 | S | C | . | . | trans | -78.4 | 121.4 | -174 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | E637 S641 I642 R643 | E637-C639 HydrophobicContact CG-CB 4.35Å; E637-C639 VanDerWaalsContact OE1-CB 3.25Å; E637-C639 WeakPolarHBondContact OE1-CB 3.46Å; E637-C639 PolarHBondContact OE1-N 2.96Å; E637-C639 VanDerWaalsContact OE1-N 3.12Å; C639-S641 PolarHBondContact O-N 3.44Å; C639-S641 PolarHBondContact SG-OG 3.38Å; C639-I642 HydrophobicContact CB-CB 4.11Å; C639-I642 HydrophobicContact CB-CD1 3.96Å; C639-I642 HydrophobicContact CB-CG1 4.01Å; C639-I642 PolarHBondContact O-N 3.07Å; C639-R643 VanDerWaalsContact O-CB 3.25Å; C639-R643 WeakPolarHBondContact O-CB 3.21Å; C639-R643 PolarHBondContact O-N 3.04Å | ||
| 640 | T | 74 | Confident | 82.9 | Confident | 71 Ų | 71 | 21.6 Ų | 21.6 | 44% | 0.436 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.4 | -40.7 | -176.1 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | P638 A644 | P638-T640 PolarHBondContact O-N 3.2Å; T640-A644 WeakPolarHBondContact O-CB 3.5Å; T640-A644 PolarHBondContact O-N 2.72Å |
| 641 | S | 75.3 | Confident | 82.8 | Confident | 64 Ų | 64 | 22.6 Ų | 22.6 | 45% | 0.448 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.5 | -48.2 | 179.3 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | C639 A644 L645 | C639-S641 PolarHBondContact O-N 3.44Å; C639-S641 PolarHBondContact SG-OG 3.38Å; S641-A644 PolarHBondContact O-N 3Å; S641-L645 WeakPolarHBondContact O-CG 3.43Å; S641-L645 PolarHBondContact O-N 3.33Å; S641-L645 VanDerWaalsContact O-N 3.07Å |
| 642 | I | 83.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 176.9 | -58.4 | 179.7 | 0 | 0 | 0 | 109.7 | Q598 L601 E637 C639 A644 L645 V646 | Q598-I642 HydrophobicContact CB-CD1 4.38Å; L601-I642 HydrophobicContact CD1-CG2 3.48Å; L601-I642 VanDerWaalsContact CD1-CG2 3.48Å; E637-I642 HydrophobicContact CG-CB 3.93Å; E637-I642 HydrophobicContact CG-CG2 3.94Å; E637-I642 WeakPolarHBondContact OE2-CG2 3.34Å; C639-I642 HydrophobicContact CB-CB 4.11Å; C639-I642 HydrophobicContact CB-CD1 3.96Å; C639-I642 HydrophobicContact CB-CG1 4.01Å; C639-I642 PolarHBondContact O-N 3.07Å; I642-A644 VanDerWaalsContact C-N 3.28Å; I642-A644 PolarHBondContact O-N 3.12Å; I642-L645 WeakPolarHBondContact O-CA 3.26Å; I642-L645 WeakPolarHBondContact O-CB 3.47Å; I642-L645 PolarHBondContact O-N 3.42Å; I642-V646 HydrophobicContact CG2-CG2 4.2Å; I642-V646 WeakPolarHBondContact O-CG2 3.44Å; I642-V646 PolarHBondContact O-N 3.21Å |
| 643 | R | 84.4 | Confident | 82.3 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -35.9 | 179.6 | -172.5 | 179.9 | 61.3 | -166.2 | -3.4 | 112.8 | E637 C639 T647 Y764 E767 | E637-R643 HydrophobicContact CB-CB 4.19Å; E637-R643 HydrophobicContact CG-CB 3.92Å; C639-R643 VanDerWaalsContact O-CB 3.25Å; C639-R643 WeakPolarHBondContact O-CB 3.21Å; C639-R643 PolarHBondContact O-N 3.04Å; R643-T647 WeakPolarHBondContact O-CB 3.33Å; R643-T647 PolarHBondContact O-N 2.96Å; R643-T647 PolarHBondContact O-OG1 3.02Å; R643-Y764 PolarHBondContact NH1-O 3.14Å; R643-E767 IonicContact CZ-OE2 3.16Å; R643-E767 IonicContact NH1-OE2 3.38Å; R643-E767 IonicContact NH2-OE2 2.83Å; R643-E767 PolarHBondContact NH2-OE2 3.08Å |
| 644 | A | 80 | Confident | 82.2 | Confident | 46 Ų | 46 | 26.4 Ų | 26.4 | 38% | 0.38 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | T640 S641 I642 T647 N648 | T640-A644 WeakPolarHBondContact O-CB 3.5Å; T640-A644 PolarHBondContact O-N 2.72Å; S641-A644 PolarHBondContact O-N 3Å; I642-A644 VanDerWaalsContact C-N 3.28Å; I642-A644 PolarHBondContact O-N 3.12Å; A644-T647 PolarHBondContact O-N 3.09Å; A644-N648 WeakPolarHBondContact O-CB 3Å; A644-N648 VanDerWaalsContact O-CG 3.27Å; A644-N648 PolarHBondContact O-N 3Å; A644-N648 PolarHBondContact O-ND2 3.26Å |
| 645 | L | 83.2 | Confident | 81.8 | Confident | 57 Ų | 57 | 30.7 Ų | 30.7 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 174.6 | -67.7 | 169.7 | 0 | 0 | 0 | 111.9 | S641 I642 T647 N648 L649 | S641-L645 WeakPolarHBondContact O-CG 3.43Å; S641-L645 PolarHBondContact O-N 3.33Å; S641-L645 VanDerWaalsContact O-N 3.07Å; I642-L645 WeakPolarHBondContact O-CA 3.26Å; I642-L645 WeakPolarHBondContact O-CB 3.47Å; I642-L645 PolarHBondContact O-N 3.42Å; L645-T647 VanDerWaalsContact C-N 3.34Å; L645-T647 PolarHBondContact O-N 3.01Å; L645-N648 PolarHBondContact O-N 3.49Å; L645-L649 VanDerWaalsContact O-CB 3.29Å; L645-L649 WeakPolarHBondContact O-CB 3.45Å; L645-L649 PolarHBondContact O-N 3.18Å |
| 646 | V | 86.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 177.3 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | L601 L630 R633 I634 I642 N648 L649 T650 | L601-V646 HydrophobicContact CD1-CG2 3.41Å; L601-V646 VanDerWaalsContact CD1-CG2 3.41Å; L601-V646 HydrophobicContact CD2-CB 4.4Å; L601-V646 HydrophobicContact CD2-CG1 4.45Å; L601-V646 HydrophobicContact CD2-CG2 3.72Å; L601-V646 HydrophobicContact CG-CG2 4.22Å; L630-V646 HydrophobicContact CB-CG1 4.38Å; L630-V646 HydrophobicContact CD2-CG1 3.94Å; R633-V646 HydrophobicContact CB-CG1 4.23Å; R633-V646 HydrophobicContact CG-CG1 4.31Å; R633-V646 HydrophobicContact CG-CG2 3.84Å; I634-V646 HydrophobicContact CD1-CG1 4.06Å; I634-V646 HydrophobicContact CG1-CB 3.97Å; I634-V646 HydrophobicContact CG1-CG1 3.46Å; I634-V646 VanDerWaalsContact CG1-CG1 3.46Å; I642-V646 HydrophobicContact CG2-CG2 4.2Å; I642-V646 WeakPolarHBondContact O-CG2 3.44Å; I642-V646 PolarHBondContact O-N 3.21Å; V646-N648 PolarHBondContact O-N 3.28Å; V646-L649 PolarHBondContact O-N 3.35Å; V646-T650 WeakPolarHBondContact O-CB 3.36Å; V646-T650 PolarHBondContact O-N 3.35Å; V646-T650 PolarHBondContact O-OG1 3.27Å |
| 647 | T | 84.5 | Confident | 81.1 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | -179.2 | -54.5 | 0 | 0 | 0 | 0 | 111 | R643 A644 L645 T650 I651 S771 V775 | R643-T647 WeakPolarHBondContact O-CB 3.33Å; R643-T647 PolarHBondContact O-N 2.96Å; R643-T647 PolarHBondContact O-OG1 3.02Å; A644-T647 PolarHBondContact O-N 3.09Å; L645-T647 VanDerWaalsContact C-N 3.34Å; L645-T647 PolarHBondContact O-N 3.01Å; T647-T650 PolarHBondContact O-N 3.46Å; T647-I651 HydrophobicContact CG2-CD1 4.05Å; T647-I651 VanDerWaalsContact O-CG1 3.31Å; T647-I651 WeakPolarHBondContact O-CG1 3.45Å; T647-I651 PolarHBondContact O-N 3.45Å; T647-I651 VanDerWaalsContact O-N 3.09Å; T647-S771 WeakPolarHBondContact OG1-CB 3.35Å; T647-V775 HydrophobicContact CG2-CG2 4.24Å |
| 648 | N | 84 | Confident | 80.7 | Confident | 96 Ų | 96 | 37.3 Ų | 37.3 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66 | -42 | 179.3 | -70.4 | -13.9 | 0 | 0 | 0 | 112 | A644 L645 V646 I651 K652 | A644-N648 WeakPolarHBondContact O-CB 3Å; A644-N648 VanDerWaalsContact O-CG 3.27Å; A644-N648 PolarHBondContact O-N 3Å; A644-N648 PolarHBondContact O-ND2 3.26Å; L645-N648 PolarHBondContact O-N 3.49Å; V646-N648 PolarHBondContact O-N 3.28Å; N648-I651 PolarHBondContact O-N 2.88Å; N648-K652 PolarHBondContact O-N 3.42Å |
| 649 | L | 85.2 | Confident | 80.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.7 | -176.9 | 59.2 | 0 | 0 | 0 | 111.8 | L601 L604 Q605 I608 L645 V646 I651 K652 I653 | L601-L649 HydrophobicContact CD2-CD2 4.15Å; L604-L649 HydrophobicContact CB-CD2 4.22Å; L604-L649 HydrophobicContact CD2-CD2 3.91Å; L604-L649 HydrophobicContact CG-CD2 4.03Å; Q605-L649 HydrophobicContact CB-CD1 3.88Å; Q605-L649 HydrophobicContact CB-CD2 4.4Å; Q605-L649 HydrophobicContact CG-CD1 4.13Å; I608-L649 HydrophobicContact CD1-CD1 3.98Å; L645-L649 VanDerWaalsContact O-CB 3.29Å; L645-L649 WeakPolarHBondContact O-CB 3.45Å; L645-L649 PolarHBondContact O-N 3.18Å; V646-L649 PolarHBondContact O-N 3.35Å; L649-I651 VanDerWaalsContact C-N 3.34Å; L649-I651 PolarHBondContact O-N 3.17Å; L649-K652 WeakPolarHBondContact O-CB 3.38Å; L649-K652 PolarHBondContact O-N 3.14Å; L649-I653 HydrophobicContact CD1-CD1 4.39Å; L649-I653 HydrophobicContact CG-CD1 4.08Å; L649-I653 WeakPolarHBondContact O-CD1 3.19Å; L649-I653 VanDerWaalsContact O-CG1 3.32Å; L649-I653 WeakPolarHBondContact O-CG1 3.39Å; L649-I653 PolarHBondContact O-N 3.45Å |
| 650 | T | 85.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.6 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | L627 L630 V646 T647 I653 I654 V775 | L627-T650 HydrophobicContact CD2-CG2 4.02Å; L630-T650 HydrophobicContact CB-CG2 4.29Å; L630-T650 HydrophobicContact CD1-CG2 4.48Å; V646-T650 WeakPolarHBondContact O-CB 3.36Å; V646-T650 PolarHBondContact O-N 3.35Å; V646-T650 PolarHBondContact O-OG1 3.27Å; T647-T650 PolarHBondContact O-N 3.46Å; T650-I653 PolarHBondContact O-N 3.3Å; T650-I654 HydrophobicContact CG2-CD1 4.09Å; T650-I654 WeakPolarHBondContact O-CG1 3.5Å; T650-I654 PolarHBondContact O-N 3.27Å; T650-V775 HydrophobicContact CG2-CG1 3.61Å; T650-V775 HydrophobicContact CG2-CG2 4.26Å |
| 651 | I | 83.7 | Confident | 80.8 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 174.8 | -67.8 | 167.3 | 0 | 0 | 0 | 111 | T647 N648 L649 I653 I654 Q655 V775 Y778 | T647-I651 HydrophobicContact CG2-CD1 4.05Å; T647-I651 VanDerWaalsContact O-CG1 3.31Å; T647-I651 WeakPolarHBondContact O-CG1 3.45Å; T647-I651 PolarHBondContact O-N 3.45Å; T647-I651 VanDerWaalsContact O-N 3.09Å; N648-I651 PolarHBondContact O-N 2.88Å; L649-I651 VanDerWaalsContact C-N 3.34Å; L649-I651 PolarHBondContact O-N 3.17Å; I651-I653 VanDerWaalsContact C-N 3.34Å; I651-I653 PolarHBondContact O-N 2.94Å; I651-I654 PolarHBondContact O-N 3.33Å; I651-Q655 HydrophobicContact CG2-CG 4.39Å; I651-Q655 WeakPolarHBondContact O-CB 3.27Å; I651-Q655 VanDerWaalsContact O-CG 3.3Å; I651-Q655 WeakPolarHBondContact O-CG 3.33Å; I651-Q655 PolarHBondContact O-N 3.19Å; I651-V775 HydrophobicContact CG1-CG2 4.3Å; I651-Y778 HydrophobicContact CD1-CD2 3.92Å; I651-Y778 HydrophobicContact CD1-CE2 3.92Å; I651-Y778 HydrophobicContact CG1-CD2 3.88Å; I651-Y778 HydrophobicContact CG1-CE2 4.28Å; I651-Y778 HydrophobicContact CG1-CG 4.37Å; I651-Y778 HydrophobicContact CG2-CD1 4.11Å; I651-Y778 HydrophobicContact CG2-CD2 4.05Å; I651-Y778 HydrophobicContact CG2-CE1 4.07Å; I651-Y778 HydrophobicContact CG2-CE2 4.02Å; I651-Y778 HydrophobicContact CG2-CG 4.11Å |
| 652 | K | 80.9 | Confident | 81 | Confident | 90 Ų | 90 | 32.2 Ų | 32.2 | 39% | 0.391 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.9 | -46 | 173.7 | -79 | -178.1 | 168.6 | -174.7 | 0 | 111.8 | E609 N648 L649 Q655 A656 | E609-K652 IonicContact OE1-NZ 3.35Å; E609-K652 PolarHBondContact OE1-NZ 3.23Å; N648-K652 PolarHBondContact O-N 3.42Å; L649-K652 WeakPolarHBondContact O-CB 3.38Å; L649-K652 PolarHBondContact O-N 3.14Å; K652-Q655 PolarHBondContact O-N 3.15Å; K652-A656 WeakPolarHBondContact O-CB 3.38Å; K652-A656 PolarHBondContact O-N 3.15Å |
| 653 | I | 82.1 | Confident | 80.7 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 178.9 | -66.5 | 159.9 | 0 | 0 | 0 | 111.3 | I608 L623 I626 L627 L630 L649 T650 I651 Q655 A656 A657 | I608-I653 HydrophobicContact CD1-CD1 3.63Å; I608-I653 HydrophobicContact CD1-CG1 3.75Å; L623-I653 HydrophobicContact CD1-CG2 3.84Å; I626-I653 HydrophobicContact CG2-CD1 3.99Å; L627-I653 HydrophobicContact CD2-CG2 4.3Å; L630-I653 HydrophobicContact CD1-CD1 3.41Å; L630-I653 VanDerWaalsContact CD1-CD1 3.41Å; L649-I653 HydrophobicContact CD1-CD1 4.39Å; L649-I653 HydrophobicContact CG-CD1 4.08Å; L649-I653 WeakPolarHBondContact O-CD1 3.19Å; L649-I653 VanDerWaalsContact O-CG1 3.32Å; L649-I653 WeakPolarHBondContact O-CG1 3.39Å; L649-I653 PolarHBondContact O-N 3.45Å; T650-I653 PolarHBondContact O-N 3.3Å; I651-I653 VanDerWaalsContact C-N 3.34Å; I651-I653 PolarHBondContact O-N 2.94Å; I653-Q655 PolarHBondContact O-N 3.35Å; I653-A656 PolarHBondContact O-N 2.84Å; I653-A657 WeakPolarHBondContact O-CB 3.4Å; I653-A657 PolarHBondContact O-N 3.31Å |
| 654 | I | 82.7 | Confident | 80.3 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -30.4 | 177.5 | -68 | 164.5 | 0 | 0 | 0 | 111.8 | L627 T650 I651 L662 V775 L779 R782 | L627-I654 HydrophobicContact CD2-CD1 4.24Å; L627-I654 HydrophobicContact CD2-CG1 3.87Å; T650-I654 HydrophobicContact CG2-CD1 4.09Å; T650-I654 WeakPolarHBondContact O-CG1 3.5Å; T650-I654 PolarHBondContact O-N 3.27Å; I651-I654 PolarHBondContact O-N 3.33Å; I654-L662 HydrophobicContact CG2-CD2 4.37Å; I654-V775 HydrophobicContact CD1-CG1 3.77Å; I654-L779 HydrophobicContact CD1-CB 4.22Å; I654-R782 HydrophobicContact CG2-CB 4.42Å; I654-R782 HydrophobicContact CG2-CG 3.95Å; I654-R782 PolarHBondContact O-NE 3.29Å |
| 655 | Q | 77.3 | Confident | 80.1 | Confident | 89 Ų | 89 | 33.7 Ų | 33.7 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74.4 | -35.9 | 174.4 | -74.9 | 175 | -16.7 | 0 | 0 | 112.6 | I651 K652 I653 R782 | I651-Q655 HydrophobicContact CG2-CG 4.39Å; I651-Q655 WeakPolarHBondContact O-CB 3.27Å; I651-Q655 VanDerWaalsContact O-CG 3.3Å; I651-Q655 WeakPolarHBondContact O-CG 3.33Å; I651-Q655 PolarHBondContact O-N 3.19Å; K652-Q655 PolarHBondContact O-N 3.15Å; I653-Q655 PolarHBondContact O-N 3.35Å; Q655-R782 PolarHBondContact O-NH2 3.28Å |
| 656 | A | 76 | Confident | 79.9 | Confident | 45 Ų | 45 | 31 Ų | 31 | 37% | 0.372 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -89 | -24.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I615 K652 I653 | I615-A656 HydrophobicContact CB-CB 4.43Å; I615-A656 HydrophobicContact CD1-CB 3.71Å; I615-A656 HydrophobicContact CG2-CB 3.8Å; K652-A656 WeakPolarHBondContact O-CB 3.38Å; K652-A656 PolarHBondContact O-N 3.15Å; I653-A656 PolarHBondContact O-N 2.84Å |
| 657 | A | 76.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -66.6 | 147.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L623 I653 R782 | L623-A657 HydrophobicContact CD1-CB 4.19Å; L623-A657 HydrophobicContact CD2-CB 3.79Å; I653-A657 WeakPolarHBondContact O-CB 3.4Å; I653-A657 PolarHBondContact O-N 3.31Å; A657-R782 PolarHBondContact O-NH2 3.39Å |
| 658 | E | 75.7 | Confident | 78.8 | Confident | 96 Ų | 96 | 38 Ų | 38 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | trans | -63 | 135.7 | 170.3 | -168.1 | -170.9 | -159.9 | 0 | 0 | 110.3 | D660 C661 L662 | E658-D660 VanDerWaalsContact C-N 3.27Å; E658-D660 PolarHBondContact O-N 2.82Å; E658-C661 PolarHBondContact O-N 3.27Å; E658-L662 WeakPolarHBondContact O-CB 3.19Å; E658-L662 PolarHBondContact O-N 3.44Å | ||
| 659 | V | 76.3 | Confident | 78.4 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 16% | 0.164 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | -175 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | L662 V663 Q785 Y786 | V659-L662 PolarHBondContact O-N 2.7Å; V659-V663 HydrophobicContact CG1-CG2 4.4Å; V659-V663 WeakPolarHBondContact O-CG2 3.33Å; V659-V663 PolarHBondContact O-N 2.93Å; V659-Q785 HydrophobicContact CG1-CB 4.24Å; V659-Y786 HydrophobicContact CG1-CD2 4.34Å |
| 660 | D | 76.2 | Confident | 78 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -53.4 | -179.3 | -77.5 | 27.7 | 0 | 0 | 0 | 111.8 | E658 L662 V663 E664 Y786 K788 | E658-D660 VanDerWaalsContact C-N 3.27Å; E658-D660 PolarHBondContact O-N 2.82Å; D660-L662 VanDerWaalsContact C-N 3.3Å; D660-L662 PolarHBondContact O-N 3.39Å; D660-V663 PolarHBondContact O-N 3.45Å; D660-E664 PolarHBondContact O-N 3.32Å; D660-Y786 HydrophobicContact CB-CD2 4.43Å; D660-Y786 HydrophobicContact CB-CE2 3.94Å; D660-Y786 VanDerWaalsContact CG-CE2 3.45Å; D660-Y786 VanDerWaalsContact OD1-CD2 3.29Å; D660-Y786 WeakPolarHBondContact OD1-CD2 3.26Å; D660-Y786 VanDerWaalsContact OD1-CE2 3.22Å; D660-Y786 WeakPolarHBondContact OD1-CE2 3.46Å; D660-K788 IonicContact OD1-NZ 2.71Å; D660-K788 WeakPolarHBondContact OD2-CD 3.39Å; D660-K788 IonicContact OD2-NZ 2.85Å; D660-K788 PolarHBondContact OD2-NZ 3.17Å |
| 661 | C | 76.2 | Confident | 77.5 | Confident | 25 Ų | 25 | 39 Ų | 39 | 17% | 0.169 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 176 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | A620 L623 E658 A665 | A620-C661 HydrophobicContact CB-CB 4.43Å; L623-C661 HydrophobicContact CD2-CB 4.44Å; E658-C661 PolarHBondContact O-N 3.27Å; C661-A665 WeakPolarHBondContact O-CB 3.4Å; C661-A665 PolarHBondContact O-N 3.3Å |
| 662 | L | 79.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 178 | -175.6 | 68.9 | 0 | 0 | 0 | 112.8 | L623 L627 I654 E658 V659 D660 S666 L779 R782 | L623-L662 HydrophobicContact CD2-CB 4.11Å; L623-L662 HydrophobicContact CD2-CD1 3.98Å; L627-L662 HydrophobicContact CD1-CD1 3.8Å; I654-L662 HydrophobicContact CG2-CD2 4.37Å; E658-L662 WeakPolarHBondContact O-CB 3.19Å; E658-L662 PolarHBondContact O-N 3.44Å; V659-L662 PolarHBondContact O-N 2.7Å; D660-L662 VanDerWaalsContact C-N 3.3Å; D660-L662 PolarHBondContact O-N 3.39Å; L662-S666 WeakPolarHBondContact O-CB 3.3Å; L662-S666 PolarHBondContact O-N 3.35Å; L662-S666 VanDerWaalsContact O-N 3.13Å; L662-S666 PolarHBondContact O-OG 3.14Å; L662-L779 HydrophobicContact CD1-CD1 3.83Å; L662-L779 HydrophobicContact CD2-CD1 4.39Å; L662-L779 HydrophobicContact CG-CD1 4.15Å; L662-R782 HydrophobicContact CD2-CB 3.49Å; L662-R782 VanDerWaalsContact CD2-CB 3.49Å; L662-R782 HydrophobicContact CD2-CG 4.31Å |
| 663 | V | 76.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.2 | -49.3 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | V659 D660 A665 S666 I667 I783 Y786 | V659-V663 HydrophobicContact CG1-CG2 4.4Å; V659-V663 WeakPolarHBondContact O-CG2 3.33Å; V659-V663 PolarHBondContact O-N 2.93Å; D660-V663 PolarHBondContact O-N 3.45Å; V663-A665 VanDerWaalsContact C-N 3.31Å; V663-A665 PolarHBondContact O-N 3.47Å; V663-S666 PolarHBondContact O-N 2.69Å; V663-I667 HydrophobicContact CG1-CD1 4.22Å; V663-I667 WeakPolarHBondContact O-CB 3.46Å; V663-I667 VanDerWaalsContact O-CG2 3.23Å; V663-I667 WeakPolarHBondContact O-CG2 3.37Å; V663-I667 PolarHBondContact O-N 3.38Å; V663-I783 HydrophobicContact CG2-CB 4.43Å; V663-I783 HydrophobicContact CG2-CG1 4.42Å; V663-I783 HydrophobicContact CG2-CG2 4.16Å; V663-Y786 HydrophobicContact CB-CD2 4.22Å; V663-Y786 HydrophobicContact CG2-CD2 3.82Å; V663-Y786 HydrophobicContact CG2-CG 3.88Å |
| 664 | E | 76 | Confident | 77.1 | Confident | 84 Ų | 84 | 35.6 Ų | 35.6 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 178.4 | -177.5 | 165.9 | -148.8 | 0 | 0 | 111.9 | A620 D660 L794 | A620-E664 HydrophobicContact CB-CB 3.8Å; A620-E664 HydrophobicContact CB-CG 3.71Å; D660-E664 PolarHBondContact O-N 3.32Å; E664-L794 HydrophobicContact CG-CD1 4.32Å; E664-L794 HydrophobicContact CG-CD2 4.01Å |
| 665 | A | 75.8 | Confident | 76.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A620 L623 H624 C661 V663 | A620-A665 VanDerWaalsContact O-CB 3.27Å; A620-A665 WeakPolarHBondContact O-CB 3.25Å; L623-A665 HydrophobicContact CB-CB 4.09Å; L623-A665 HydrophobicContact CD2-CB 4.23Å; L623-A665 HydrophobicContact CG-CB 4.12Å; H624-A665 HydrophobicContact CB-CB 3.94Å; H624-A665 PolarHBondContact CD2-O 2.87Å; H624-A665 VanDerWaalsContact CD2-O 3.26Å; C661-A665 WeakPolarHBondContact O-CB 3.4Å; C661-A665 PolarHBondContact O-N 3.3Å; V663-A665 VanDerWaalsContact C-N 3.31Å; V663-A665 PolarHBondContact O-N 3.47Å |
| 666 | S | 79.4 | Confident | 77 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -101.5 | -27.5 | -166 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | L662 V663 R668 R669 L670 I783 | L662-S666 WeakPolarHBondContact O-CB 3.3Å; L662-S666 PolarHBondContact O-N 3.35Å; L662-S666 VanDerWaalsContact O-N 3.13Å; L662-S666 PolarHBondContact O-OG 3.14Å; V663-S666 PolarHBondContact O-N 2.69Å; S666-R668 PolarHBondContact O-N 3.13Å; S666-R668 VanDerWaalsContact O-N 3.13Å; S666-R669 PolarHBondContact O-N 3.08Å; S666-L670 PolarHBondContact O-N 3.18Å; S666-L670 VanDerWaalsContact O-N 3.08Å; S666-I783 VanDerWaalsContact OG-CD1 3.27Å; S666-I783 WeakPolarHBondContact OG-CD1 3.44Å |
| 667 | I | 75.3 | Confident | 77.3 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.8 | -169.9 | -159.9 | 163.8 | 0 | 0 | 0 | 113.9 | V663 I790 Y831 | V663-I667 HydrophobicContact CG1-CD1 4.22Å; V663-I667 WeakPolarHBondContact O-CB 3.46Å; V663-I667 VanDerWaalsContact O-CG2 3.23Å; V663-I667 WeakPolarHBondContact O-CG2 3.37Å; V663-I667 PolarHBondContact O-N 3.38Å; I667-I790 HydrophobicContact CD1-CD1 3.52Å; I667-I790 HydrophobicContact CD1-CG1 4.42Å; I667-Y831 HydrophobicContact CD1-CD1 3.73Å; I667-Y831 HydrophobicContact CD1-CE1 3.68Å; I667-Y831 HydrophobicContact CG1-CD1 4.04Å; I667-Y831 HydrophobicContact CG1-CE1 3.49Å; I667-Y831 VanDerWaalsContact CG1-CE1 3.49Å |
| 668 | R | 72.7 | Confident | 77.3 | Confident | 144 Ų | 144 | 31.7 Ų | 31.7 | 54% | 0.543 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.8 | 176.9 | -68.1 | 179.1 | 172.3 | 169.7 | -1.8 | 114.6 | S666 | S666-R668 PolarHBondContact O-N 3.13Å; S666-R668 VanDerWaalsContact O-N 3.13Å |
| 669 | R | 76.4 | Confident | 77.3 | Confident | 68 Ų | 68 | 28.3 Ų | 28.3 | 26% | 0.257 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -12.6 | -178.4 | -74.8 | -59.3 | -153.8 | -154.2 | -3.6 | 114.7 | H624 D628 S666 D671 V672 W673 | H624-R669 VanDerWaalsContact NE2-CG 3.31Å; H624-R669 WeakPolarHBondContact NE2-CG 3.36Å; H624-R669 PolarHBondContact NE2-NE 3.48Å; D628-R669 IonicContact OD1-NE 3.93Å; D628-R669 PolarHBondContact OD1-NE 3.39Å; D628-R669 IonicContact OD2-CZ 2.61Å; D628-R669 IonicContact OD2-NE 2.6Å; D628-R669 PolarHBondContact OD2-NE 2.91Å; D628-R669 IonicContact OD2-NH2 2.79Å; D628-R669 PolarHBondContact OD2-NH2 2.69Å; D628-R669 VanDerWaalsContact OD2-NH2 3.16Å; S666-R669 PolarHBondContact O-N 3.08Å; R669-D671 PolarHBondContact O-N 2.82Å; R669-D671 VanDerWaalsContact O-N 3.17Å; R669-V672 WeakPolarHBondContact O-CA 3.47Å; R669-V672 WeakPolarHBondContact O-CB 3.49Å; R669-V672 PolarHBondContact O-N 2.87Å; R669-W673 HydrophobicContact CB-CD2 4.11Å; R669-W673 HydrophobicContact CB-CE3 4.42Å; R669-W673 HydrophobicContact CB-CH2 4.2Å; R669-W673 HydrophobicContact CB-CZ2 3.85Å; R669-W673 HydrophobicContact CB-CZ3 4.45Å; R669-W673 HydrophobicContact CG-CZ2 4.4Å; R669-W673 PolarHBondContact O-N 3.04Å |
| 670 | L | 77.7 | Confident | 76.9 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.1 | -35.8 | -174.2 | -173.4 | 63.2 | 0 | 0 | 0 | 113.3 | S666 L674 L776 L779 | S666-L670 PolarHBondContact O-N 3.18Å; S666-L670 VanDerWaalsContact O-N 3.08Å; L670-L674 HydrophobicContact CG-CD1 4.24Å; L670-L674 WeakPolarHBondContact O-CB 3.48Å; L670-L674 WeakPolarHBondContact O-CD1 3.4Å; L670-L674 WeakPolarHBondContact O-CG 3.33Å; L670-L674 PolarHBondContact O-N 3.26Å; L670-L776 HydrophobicContact CD1-CD2 4.17Å; L670-L779 HydrophobicContact CD1-CD2 4Å |
| 671 | D | 73.4 | Confident | 76.7 | Confident | 46 Ų | 46 | 29.2 Ų | 29.2 | 25% | 0.246 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.5 | -43.4 | 174.4 | 46.6 | 15.9 | 0 | 0 | 0 | 112.9 | R669 W673 L674 C675 K835 | R669-D671 PolarHBondContact O-N 2.82Å; R669-D671 VanDerWaalsContact O-N 3.17Å; D671-W673 PolarHBondContact O-N 3.05Å; D671-L674 PolarHBondContact O-N 3.32Å; D671-C675 PolarHBondContact O-N 3.19Å; D671-C675 PolarHBondContact O-SG 3.33Å; D671-K835 IonicContact OD2-NZ 3.02Å; D671-K835 PolarHBondContact OD2-NZ 3.3Å |
| 672 | V | 79.1 | Confident | 76.1 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55 | -49.1 | 172 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | R669 C675 Q676 F689 | R669-V672 WeakPolarHBondContact O-CA 3.47Å; R669-V672 WeakPolarHBondContact O-CB 3.49Å; R669-V672 PolarHBondContact O-N 2.87Å; V672-C675 PolarHBondContact O-N 2.97Å; V672-Q676 WeakPolarHBondContact O-CG 3.43Å; V672-Q676 PolarHBondContact O-N 3.03Å; V672-F689 HydrophobicContact CG1-CD1 4.14Å |
| 673 | W | 83 | Confident | 75.7 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 178.7 | -65.6 | -22.1 | 0 | 0 | 0 | 112.5 | L627 D628 F631 R669 D671 Q676 V677 L776 L779 | L627-W673 HydrophobicContact CB-CH2 3.8Å; L627-W673 HydrophobicContact CB-CZ2 4.1Å; D628-W673 HydrophobicContact CB-CZ2 4.42Å; D628-W673 VanDerWaalsContact OD1-CE2 3.28Å; D628-W673 VanDerWaalsContact OD1-CZ2 3.32Å; D628-W673 WeakPolarHBondContact OD1-CZ2 3.14Å; D628-W673 PolarHBondContact OD1-NE1 3.49Å; F631-W673 HydrophobicContact CD1-CB 3.99Å; F631-W673 AromaticContact CD1-CD1 3.5Å; F631-W673 HydrophobicContact CD1-CD2 4.37Å; F631-W673 AromaticContact CD1-CG 3.7Å; F631-W673 HydrophobicContact CD1-CG 3.7Å; F631-W673 HydrophobicContact CE1-CB 3.52Å; F631-W673 AromaticContact CE1-CD1 3.91Å; F631-W673 AromaticContact CE1-CG 3.78Å; F631-W673 HydrophobicContact CE1-CG 3.78Å; F631-W673 HydrophobicContact CG-CG 4.32Å; F631-W673 HydrophobicContact CZ-CB 3.98Å; F631-W673 HydrophobicContact CZ-CG 4.46Å; R669-W673 HydrophobicContact CB-CD2 4.11Å; R669-W673 HydrophobicContact CB-CE3 4.42Å; R669-W673 HydrophobicContact CB-CH2 4.2Å; R669-W673 HydrophobicContact CB-CZ2 3.85Å; R669-W673 HydrophobicContact CB-CZ3 4.45Å; R669-W673 HydrophobicContact CG-CZ2 4.4Å; R669-W673 PolarHBondContact O-N 3.04Å; D671-W673 PolarHBondContact O-N 3.05Å; W673-Q676 PolarHBondContact O-N 2.95Å; W673-V677 WeakPolarHBondContact O-CG2 3.48Å; W673-V677 PolarHBondContact O-N 3.27Å; W673-L776 HydrophobicContact CB-CD2 3.97Å; W673-L776 HydrophobicContact CE3-CD2 4.25Å; W673-L779 HydrophobicContact CE3-CD2 3.84Å; W673-L779 HydrophobicContact CZ3-CD2 3.49Å; W673-L779 VanDerWaalsContact CZ3-CD2 3.49Å |
| 674 | L | 78 | Confident | 75.4 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 173.9 | -74.8 | 166.5 | 0 | 0 | 0 | 111.4 | L670 D671 Q676 V677 M678 L776 L836 Q839 L856 | L670-L674 HydrophobicContact CG-CD1 4.24Å; L670-L674 WeakPolarHBondContact O-CB 3.48Å; L670-L674 WeakPolarHBondContact O-CD1 3.4Å; L670-L674 WeakPolarHBondContact O-CG 3.33Å; L670-L674 PolarHBondContact O-N 3.26Å; D671-L674 PolarHBondContact O-N 3.32Å; L674-Q676 VanDerWaalsContact C-N 3.34Å; L674-Q676 PolarHBondContact O-N 3.21Å; L674-V677 PolarHBondContact O-N 3.27Å; L674-M678 HydrophobicContact CD2-CE 4.38Å; L674-M678 WeakPolarHBondContact O-CB 3.42Å; L674-M678 VanDerWaalsContact O-CG 3.27Å; L674-M678 WeakPolarHBondContact O-CG 3.3Å; L674-M678 PolarHBondContact O-N 3.44Å; L674-M678 VanDerWaalsContact O-N 3.13Å; L674-L776 HydrophobicContact CD2-CD1 4.06Å; L674-L836 HydrophobicContact CD1-CD2 4.2Å; L674-Q839 HydrophobicContact CD1-CB 4.44Å; L674-L856 HydrophobicContact CD2-CD2 3.47Å; L674-L856 VanDerWaalsContact CD2-CD2 3.47Å |
| 675 | C | 77.5 | Confident | 75.2 | Confident | 46 Ų | 46 | 33.2 Ų | 33.2 | 31% | 0.311 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | D671 V672 V677 M678 Q679 F689 | D671-C675 PolarHBondContact O-N 3.19Å; D671-C675 PolarHBondContact O-SG 3.33Å; V672-C675 PolarHBondContact O-N 2.97Å; C675-V677 PolarHBondContact O-N 3.43Å; C675-M678 PolarHBondContact O-N 3.26Å; C675-Q679 PolarHBondContact O-N 3.1Å; C675-F689 HydrophobicContact CB-CE1 3.95Å |
| 676 | Q | 80.3 | Confident | 74.9 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | -179.9 | -77.4 | 172.1 | -22.8 | 0 | 0 | 113.1 | L635 V672 W673 L674 M678 Y685 F689 | L635-Q676 HydrophobicContact CD1-CB 3.83Å; V672-Q676 WeakPolarHBondContact O-CG 3.43Å; V672-Q676 PolarHBondContact O-N 3.03Å; W673-Q676 PolarHBondContact O-N 2.95Å; L674-Q676 VanDerWaalsContact C-N 3.34Å; L674-Q676 PolarHBondContact O-N 3.21Å; Q676-M678 VanDerWaalsContact C-N 3.31Å; Q676-Y685 HydrophobicContact CB-CE1 3.95Å; Q676-Y685 HydrophobicContact CG-CD1 4.48Å; Q676-Y685 HydrophobicContact CG-CE1 3.99Å; Q676-Y685 PolarHBondContact O-OH 3.49Å; Q676-F689 HydrophobicContact CG-CB 4.37Å; Q676-F689 HydrophobicContact CG-CD1 4.26Å; Q676-F689 PolarHBondContact NE2-O 3.48Å |
| 677 | V | 80.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -34.9 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | F631 L635 W673 L674 C675 Q679 R769 A772 V773 L776 I852 | F631-V677 HydrophobicContact CE1-CG2 4Å; F631-V677 HydrophobicContact CZ-CG2 3.5Å; F631-V677 VanDerWaalsContact CZ-CG2 3.5Å; L635-V677 HydrophobicContact CD2-CG2 4.19Å; W673-V677 WeakPolarHBondContact O-CG2 3.48Å; W673-V677 PolarHBondContact O-N 3.27Å; L674-V677 PolarHBondContact O-N 3.27Å; C675-V677 PolarHBondContact O-N 3.43Å; V677-Q679 VanDerWaalsContact C-N 3.33Å; V677-Q679 PolarHBondContact O-N 3.03Å; V677-R769 HydrophobicContact CG1-CB 4.46Å; V677-R769 HydrophobicContact CG1-CG 4.42Å; V677-R769 PolarHBondContact O-NH1 3.14Å; V677-A772 HydrophobicContact CG2-CB 3.81Å; V677-V773 HydrophobicContact CG1-CG2 3.95Å; V677-L776 HydrophobicContact CG2-CD1 3.97Å; V677-I852 HydrophobicContact CG1-CD1 4.25Å; V677-I852 HydrophobicContact CG1-CG2 3.72Å; V677-I852 VanDerWaalsContact O-CD1 3.26Å; V677-I852 WeakPolarHBondContact O-CD1 3.33Å |
| 678 | M | 76.8 | Confident | 73.8 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.2 | -6 | -176.8 | -74.7 | -169.6 | -168.7 | 0 | 0 | 115.1 | L674 C675 Q676 L840 H841 Q849 I852 S853 | L674-M678 HydrophobicContact CD2-CE 4.38Å; L674-M678 WeakPolarHBondContact O-CB 3.42Å; L674-M678 VanDerWaalsContact O-CG 3.27Å; L674-M678 WeakPolarHBondContact O-CG 3.3Å; L674-M678 PolarHBondContact O-N 3.44Å; L674-M678 VanDerWaalsContact O-N 3.13Å; C675-M678 PolarHBondContact O-N 3.26Å; Q676-M678 VanDerWaalsContact C-N 3.31Å; M678-L840 HydrophobicContact CE-CD2 4.44Å; M678-H841 HydrophobicContact SD-CB 4.45Å; M678-Q849 HydrophobicContact CB-CG 4.12Å; M678-Q849 VanDerWaalsContact O-CG 3.32Å; M678-Q849 WeakPolarHBondContact O-CG 3.28Å; M678-I852 HydrophobicContact CG-CG2 4.12Å; M678-S853 WeakPolarHBondContact CE-OG 3.35Å |
| 679 | Q | 75.6 | Confident | 73.4 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -63.5 | 142.4 | -179.7 | -172.8 | 160.6 | -34 | 0 | 0 | 112.5 | C675 V677 I683 P684 Y685 I748 R769 | C675-Q679 PolarHBondContact O-N 3.1Å; V677-Q679 VanDerWaalsContact C-N 3.33Å; V677-Q679 PolarHBondContact O-N 3.03Å; Q679-I683 HydrophobicContact CG-CB 4.39Å; Q679-I683 PolarHBondContact NE2-O 3.41Å; Q679-P684 VanDerWaalsContact NE2-C 3.34Å; Q679-P684 PolarHBondContact NE2-O 2.9Å; Q679-Y685 HydrophobicContact CB-CE1 4.43Å; Q679-I748 HydrophobicContact CB-CD1 4.25Å; Q679-R769 PolarHBondContact O-NH1 3.01Å; Q679-R769 PolarHBondContact O-NH2 2.83Å |
| 680 | P | 69.1 | Low | 72.8 | Confident | 29 Ų | 29 | 44 Ų | 44 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 159.7 | 176.4 | -25.3 | 35 | 0 | 0 | 0 | 114.2 | I683 L846 | P680-I683 HydrophobicContact CB-CD1 3.78Å; P680-I683 HydrophobicContact CB-CG1 4.28Å; P680-I683 HydrophobicContact CG-CD1 3.86Å; P680-L846 HydrophobicContact CG-CD1 4.1Å; P680-L846 HydrophobicContact CG-CD2 4.06Å |
| 681 | T | 69.9 | Low | 71.9 | Confident | 62 Ų | 62 | 44 Ų | 44 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 131.2 | 177.2 | 54 | 0 | 0 | 0 | 0 | 111.5 | V765 | T681-V765 HydrophobicContact CG2-CG1 3.78Š|
| 682 | G | 65 | Low | 70.6 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 5.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 683 | I | 71.1 | Confident | 69.1 | Low | 84 Ų | 84 | 46.9 Ų | 46.9 | 43% | 0.431 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 130.4 | 172.9 | -54 | -175.9 | 0 | 0 | 0 | 108.9 | Q679 P680 | Q679-I683 HydrophobicContact CG-CB 4.39Å; Q679-I683 PolarHBondContact NE2-O 3.41Å; P680-I683 HydrophobicContact CB-CD1 3.78Å; P680-I683 HydrophobicContact CB-CG1 4.28Å; P680-I683 HydrophobicContact CG-CD1 3.86Å |
| 684 | P | 70.2 | Confident | 67.5 | Low | 57 Ų | 57 | 49.3 Ų | 49.3 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 152.3 | 177.3 | 30.3 | -35.5 | 0 | 0 | 0 | 112.6 | Q679 Y746 | Q679-P684 VanDerWaalsContact NE2-C 3.34Å; Q679-P684 PolarHBondContact NE2-O 2.9Å; P684-Y746 WeakPolarHBondContact CA-O 3.34Å |
| 685 | Y | 71.7 | Confident | 65.5 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 130.1 | 177.1 | -74.8 | -61.5 | 0 | 0 | 0 | 111.9 | L636 Q676 Q679 Y746 I748 | L636-Y685 HydrophobicContact CD2-CD2 4.33Å; L636-Y685 HydrophobicContact CD2-CE2 4.17Å; Q676-Y685 HydrophobicContact CB-CE1 3.95Å; Q676-Y685 HydrophobicContact CG-CD1 4.48Å; Q676-Y685 HydrophobicContact CG-CE1 3.99Å; Q676-Y685 PolarHBondContact O-OH 3.49Å; Q679-Y685 HydrophobicContact CB-CE1 4.43Å; Y685-Y746 WeakPolarHBondContact CD2-O 3.26Å; Y685-Y746 PolarHBondContact N-O 2.93Å; Y685-I748 HydrophobicContact CE2-CG1 4.09Å; Y685-I748 WeakPolarHBondContact OH-CG1 3.32Å |
| 686 | P | 69 | Low | 63.5 | Low | 67 Ų | 67 | 58.6 Ų | 58.6 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 138.7 | 168.9 | -18.5 | 29.2 | 0 | 0 | 0 | 111.4 | K688 F689 | P686-K688 PolarHBondContact O-N 2.77Å; P686-F689 HydrophobicContact CB-CD2 3.94Å; P686-F689 HydrophobicContact CB-CE2 4.35Å; P686-F689 HydrophobicContact CG-CD2 3.86Å; P686-F689 HydrophobicContact CG-CE2 4.02Å; P686-F689 PolarHBondContact O-N 3.36Å |
| 687 | N | 65.3 | Low | 61 | Low | 112 Ų | 112 | 65.5 Ų | 65.5 | 60% | 0.599 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -53.9 | -18.4 | -175.7 | -62.4 | 3.5 | 0 | 0 | 0 | 115.4 | F689 L690 | N687-F689 VanDerWaalsContact C-N 3.32Å; N687-L690 PolarHBondContact O-N 2.75Å |
| 688 | K | 66.9 | Low | 58.6 | Low | 184 Ų | 184 | 69.4 Ų | 69.4 | 80% | 0.8 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -69.9 | -25 | 173.5 | -65.6 | -173.7 | 178.7 | -176 | 0 | 113.8 | P686 | P686-K688 PolarHBondContact O-N 2.77Š|
| 689 | F | 64.7 | Low | 56.3 | Low | 67 Ų | 67 | 76.2 Ų | 76.2 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -88 | -4 | 176.7 | -68.3 | -82.1 | 0 | 0 | 0 | 113 | V672 C675 Q676 P686 N687 | V672-F689 HydrophobicContact CG1-CD1 4.14Å; C675-F689 HydrophobicContact CB-CE1 3.95Å; Q676-F689 HydrophobicContact CG-CB 4.37Å; Q676-F689 HydrophobicContact CG-CD1 4.26Å; Q676-F689 PolarHBondContact NE2-O 3.48Å; P686-F689 HydrophobicContact CB-CD2 3.94Å; P686-F689 HydrophobicContact CB-CE2 4.35Å; P686-F689 HydrophobicContact CG-CD2 3.86Å; P686-F689 HydrophobicContact CG-CE2 4.02Å; P686-F689 PolarHBondContact O-N 3.36Å; N687-F689 VanDerWaalsContact C-N 3.32Å |
| 690 | L | 63.4 | Low | 54.1 | Low | 19 Ų | 19 | 81.6 Ų | 81.6 | 10% | 0.099 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -92.9 | 139.4 | 176.5 | -60.1 | 179.2 | 0 | 0 | 0 | 109.7 | L632 N687 L694 Y746 | L632-L690 HydrophobicContact CD1-CD2 4.13Å; L632-L690 HydrophobicContact CD2-CD2 4.3Å; N687-L690 PolarHBondContact O-N 2.75Å; L690-L694 HydrophobicContact CB-CB 4.25Å; L690-L694 HydrophobicContact CB-CD1 3.88Å; L690-L694 HydrophobicContact CD1-CD1 4.3Å; L690-L694 HydrophobicContact CD2-CD1 4.02Å; L690-L694 HydrophobicContact CG-CD1 4.28Å; L690-Y746 HydrophobicContact CD1-CD2 4.36Å |
| 691 | V | 58.8 | Low | 52 | Low | 10 Ų | 10 | 88.1 Ų | 88.1 | 6% | 0.061 | 48% | 0.48 | C | S | . | . | trans | -60.7 | 149.4 | -178.6 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | D628 L632 C693 L694 | D628-V691 HydrophobicContact CB-CG2 3.96Å; L632-V691 HydrophobicContact CD2-CG2 4.05Å; V691-C693 HydrophobicContact CG1-CB 4.29Å; V691-C693 PolarHBondContact O-N 3.29Å; V691-L694 PolarHBondContact O-N 2.92Å | ||
| 692 | P | 45.6 | Very low | 49.8 | Very low | 77 Ų | 77 | 93.8 Ų | 93.8 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -50.8 | -27.6 | 177.9 | -31 | 37.7 | 0 | 0 | 0 | 115.4 | L694 R695 | P692-L694 PolarHBondContact O-N 2.91Å; P692-R695 WeakPolarHBondContact O-CB 3.47Å; P692-R695 PolarHBondContact O-N 3.16Å |
| 693 | C | 48.9 | Very low | 47.8 | Very low | 62 Ų | 62 | 97 Ų | 97 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -59.2 | -12.6 | 173.2 | -51.7 | 0 | 0 | 0 | 0 | 114.6 | V691 | V691-C693 HydrophobicContact CG1-CB 4.29Å; V691-C693 PolarHBondContact O-N 3.29Å |
| 694 | L | 49.3 | Very low | 45.6 | Very low | 57 Ų | 57 | 98.5 Ų | 98.5 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -101.8 | 9.1 | 173.1 | -71.8 | 165.3 | 0 | 0 | 0 | 113.2 | L632 L690 V691 P692 | L632-L694 HydrophobicContact CD2-CD1 3.66Å; L690-L694 HydrophobicContact CB-CB 4.25Å; L690-L694 HydrophobicContact CB-CD1 3.88Å; L690-L694 HydrophobicContact CD1-CD1 4.3Å; L690-L694 HydrophobicContact CD2-CD1 4.02Å; L690-L694 HydrophobicContact CG-CD1 4.28Å; V691-L694 PolarHBondContact O-N 2.92Å; P692-L694 PolarHBondContact O-N 2.91Å |
| 695 | R | 36.2 | Very low | 43.4 | Very low | 165 Ų | 165 | 100.5 Ų | 100.5 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -94.9 | 111.8 | 177.9 | -63.9 | -173.8 | -178.7 | -173.7 | 2.2 | 110.7 | P692 | P692-R695 WeakPolarHBondContact O-CB 3.47Å; P692-R695 PolarHBondContact O-N 3.16Å |
| 696 | S | 35 | Very low | 41.2 | Very low | 85 Ų | 85 | 108.1 Ų | 108.1 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | trans | -40.8 | 135.2 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 116.6 | S698 | S696-S698 PolarHBondContact O-N 3.4Š| ||
| 697 | N | 27.9 | Very low | 39.2 | Very low | 150 Ų | 150 | 111.5 Ų | 111.5 | 80% | 0.802 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 21 | 172.1 | -113.1 | -8.2 | 0 | 0 | 0 | 114.2 | ||
| 698 | S | 30.7 | Very low | 37.2 | Very low | 83 Ų | 83 | 110.8 Ų | 110.8 | 58% | 0.58 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -14.8 | -176.9 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | S696 | S696-S698 PolarHBondContact O-N 3.4Š|
| 699 | D | 28.8 | Very low | 35.3 | Very low | 150 Ų | 150 | 106.6 Ų | 106.6 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -100.7 | 95.6 | 179.1 | -74.1 | -24.6 | 0 | 0 | 0 | 111.1 | ||
| 700 | I | 28.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 109.8 Ų | 109.8 | 70% | 0.703 | 61% | 0.614 | S | S | * | * | trans | -62.7 | 135.5 | -178.9 | -73.2 | 165.8 | 0 | 0 | 0 | 112.3 | ||||
| 701 | Q | 24.4 | Very low | 31.8 | Very low | 167 Ų | 167 | 115.5 Ų | 115.5 | 78% | 0.78 | 64% | 0.644 | S | S | * | * | trans | 31.3 | 107.3 | 151.5 | -57.8 | 168.3 | 0.1 | 0 | 0 | 118.3 | ||||
| 702 | L | 24.2 | Very low | 30.2 | Very low | 181 Ų | 181 | 120.4 Ų | 120.4 | 95% | 0.948 | 67% | 0.67 | S | S | * | * | trans | -130.5 | 122 | 134.6 | -86.9 | 175.8 | 0 | 0 | 0 | 109.7 | ||||
| 703 | T | 23.3 | Very low | 29.4 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | -80.5 | -177.6 | -179.4 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 704 | T | 25 | Very low | 28.4 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | trans | 66.8 | 109.2 | 155.1 | 42.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 705 | S | 24.2 | Very low | 27.2 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | 12.5 | 113 | 125.7 | 54.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 706 | E | 26.1 | Very low | 26.7 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | -179.1 | 140.8 | 115 | -98.6 | 171.4 | -162.3 | 0 | 0 | 113 | |||||
| 707 | L | 26.1 | Very low | 26.5 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | 49.5 | 99.6 | 137.3 | -61.8 | 164.4 | 0 | 0 | 0 | 120.1 | ||||
| 708 | S | 24.4 | Very low | 26.4 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | 41.1 | 130.3 | 116.9 | 64.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 709 | S | 26.2 | Very low | 26.2 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | 90 | 141.8 | 143.4 | 79.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 710 | N | 27.2 | Very low | 25.9 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | 85.1 | 89.9 | 157.7 | -52.2 | -33 | 0 | 0 | 0 | 119.7 | ||||
| 711 | N | 26.4 | Very low | 25.8 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | 53.2 | 130.7 | 113.3 | -58.9 | -6.4 | 0 | 0 | 0 | 122.8 | |||||
| 712 | D | 27.2 | Very low | 25.8 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | trans | 42.8 | 94.2 | 138 | -71.6 | -58.7 | 0 | 0 | 0 | 119.7 | K803 | D712-K803 IonicContact OD1-NZ 3.02Å; D712-K803 PolarHBondContact OD1-NZ 3.35Å | ||
| 713 | E | 28.8 | Very low | 25.8 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | -160.4 | 101.3 | 140.5 | -111.3 | 166.6 | -153.5 | 0 | 0 | 108.3 | ||||
| 714 | L | 26.2 | Very low | 25.9 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | 46 | 90.7 | 84.2 | -95.9 | 154.2 | 0 | 0 | 0 | 115.3 | |||||
| 715 | T | 25.4 | Very low | 25.9 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 52 | 78.3 | 136.1 | 57.4 | 0 | 0 | 0 | 0 | 118.5 | ||
| 716 | S | 26.1 | Very low | 26 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -169.3 | 166.7 | 137.4 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 717 | L | 29.5 | Very low | 26.1 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 93% | 0.927 | 74% | 0.744 | S | S | * | * | trans | 67.2 | 99.6 | 179.7 | -54.1 | 157.8 | 0 | 0 | 0 | 113.9 | ||||
| 718 | G | 26 | Very low | 26.2 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | cis | 131 | 31.8 | 5.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 719 | I | 26 | Very low | 26.4 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -93.1 | 121.5 | 163.9 | -62.3 | 173.1 | 0 | 0 | 0 | 108.2 | V721 | I719-V721 PolarHBondContact O-N 2.99Š| ||
| 720 | K | 22.4 | Very low | 26.4 | Very low | 143 Ų | 143 | 134 Ų | 134 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | trans | -75.3 | 116.3 | -172.8 | -65.7 | 151.8 | 178.4 | 162.9 | 0 | 110.8 | R722 | K720-R722 VanDerWaalsContact C-N 3.34Å; K720-R722 HydrophobicContact CB-CB 4.28Å; K720-R722 HydrophobicContact CB-CG 4.06Å; K720-R722 HydrophobicContact CD-CG 4.42Å; K720-R722 HydrophobicContact CG-CG 4.32Å; K720-R722 PolarHBondContact O-N 3.18Å | ||
| 721 | V | 26.7 | Very low | 26.5 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | trans | -90.8 | 84.2 | 145.4 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | I719 | I719-V721 PolarHBondContact O-N 2.99Š| ||
| 722 | R | 24.7 | Very low | 26.5 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -76.8 | 135.1 | -176.5 | -113.2 | 177.1 | -177.6 | 175.8 | -7.1 | 109.7 | K720 | K720-R722 VanDerWaalsContact C-N 3.34Å; K720-R722 HydrophobicContact CB-CB 4.28Å; K720-R722 HydrophobicContact CB-CG 4.06Å; K720-R722 HydrophobicContact CD-CG 4.42Å; K720-R722 HydrophobicContact CG-CG 4.32Å; K720-R722 PolarHBondContact O-N 3.18Å | ||
| 723 | S | 23.6 | Very low | 26.4 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -64.3 | -177.5 | 152.7 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 724 | T | 26 | Very low | 26.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 86.8 | 130.5 | -174.9 | 73.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 725 | A | 24.2 | Very low | 26.4 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | cis | 59.8 | 54.1 | 24.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 726 | N | 26.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | trans | -176.4 | 113 | 140.9 | -93.9 | -7.6 | 0 | 0 | 0 | 109.2 | ||||
| 727 | I | 28.8 | Very low | 26.5 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | 96 | 121.6 | 85.9 | -81.6 | 177.3 | 0 | 0 | 0 | 111.9 | |||||
| 728 | N | 28 | Very low | 26.4 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | 80.6 | 105.2 | 157.8 | -66 | -4.7 | 0 | 0 | 0 | 122.4 | ||||
| 729 | S | 27.7 | Very low | 26.3 | Very low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | 104.4 | 129.6 | 110.4 | 67.3 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 730 | N | 27.9 | Very low | 26.2 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | 71.5 | 131 | 164.5 | -54.7 | -10.3 | 0 | 0 | 0 | 114.7 | ||||
| 731 | I | 27.3 | Very low | 26.5 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 68% | 0.677 | 71% | 0.713 | S | S | * | * | cis | -156.1 | 178.3 | 17.9 | -116.8 | 159.8 | 0 | 0 | 0 | 108.2 | Q204 | Q204-I731 PolarHBondContact NE2-O 2.9Å; Q204-I731 PolarHBondContact OE1-O 2.66Å | ||
| 732 | P | 26.9 | Very low | 26.6 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 54% | 0.539 | 70% | 0.701 | S | S | . | * | -121.2 | -157.8 | -123.3 | 48 | -39.9 | 0 | 0 | 0 | 120.2 | T203 Q204 | T203-P732 CarbonylContact C-O 3.58Å; T203-P732 CarbonylContact O-C 3.57Å; Q204-P732 WeakPolarHBondContact CB-O 3.48Å; Q204-P732 WeakPolarHBondContact CG-O 3.21Å; Q204-P732 PolarHBondContact OE1-O 3.36Å | |||
| 733 | S | 25.7 | Very low | 27.4 | Very low | 79 Ų | 79 | 124 Ų | 124 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | -134.6 | 121.5 | -125.4 | 58 | 0 | 0 | 0 | 0 | 128.9 | T203 Q204 | T203-S733 CarbonylContact O-C 3.26Å; T203-S733 WeakPolarHBondContact O-CA 3.41Å; T203-S733 PolarHBondContact O-N 2.85Å; Q204-S733 VanDerWaalsContact C-CA 3.46Å; Q204-S733 CarbonylContact O-C 3.56Å; Q204-S733 WeakPolarHBondContact O-CA 3.42Å; Q204-S733 WeakPolarHBondContact O-CB 3.34Å | |||
| 734 | S | 27.8 | Very low | 28.8 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 45% | 0.448 | 69% | 0.687 | S | S | . | * | trans | -127.4 | 140 | 133.6 | 63.9 | 0 | 0 | 0 | 0 | 118.7 | T203 Q204 | T203-S734 CarbonylContact C-O 3.37Å; T203-S734 PolarHBondContact N-OG 3.06Å; T203-S734 PolarHBondContact O-N 2.85Å; Q204-S734 VanDerWaalsContact C-N 3.3Å; Q204-S734 CarbonylContact C-O 3.51Å; Q204-S734 WeakPolarHBondContact CA-O 3.36Å; Q204-S734 VanDerWaalsContact N-N 3.14Å; Q204-S734 PolarHBondContact N-O 3.05Å; Q204-S734 CarbonylContact O-C 3.51Å; Q204-S734 WeakPolarHBondContact O-CA 3.48Å; Q204-S734 PolarHBondContact O-N 2.67Å | ||
| 735 | N | 26.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 120 Ų | 120 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | trans | -79.1 | 148.1 | -157.7 | -61.7 | -89.4 | 0 | 0 | 0 | 121.9 | Q204 P205 | Q204-N735 PolarHBondContact O-N 3.18Å; P205-N735 VanDerWaalsContact CA-OD1 3.26Å; P205-N735 WeakPolarHBondContact CA-OD1 3.4Å; P205-N735 HydrophobicContact CB-CB 4.4Å; P205-N735 VanDerWaalsContact CB-OD1 3.25Å; P205-N735 WeakPolarHBondContact CB-OD1 3.13Å | ||
| 736 | Q | 30.3 | Very low | 32.2 | Very low | 176 Ų | 176 | 119 Ų | 119 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | trans | -122.5 | 122.7 | 155.9 | -80.3 | -175.5 | -6.6 | 0 | 0 | 112.4 | A738 | Q736-A738 PolarHBondContact O-N 3.14Š| ||
| 737 | Q | 23.2 | Very low | 34.1 | Very low | 190 Ų | 190 | 112.8 Ų | 112.8 | 89% | 0.888 | 62% | 0.619 | S | S | * | * | trans | -90 | 78.3 | 167.6 | -77.6 | -172.6 | -7.9 | 0 | 0 | 110.9 | V739 | Q737-V739 PolarHBondContact O-N 3.39Š| ||
| 738 | A | 26.6 | Very low | 36.1 | Very low | 83 Ų | 83 | 106.7 Ų | 106.7 | 69% | 0.686 | 59% | 0.588 | S | S | * | * | trans | -65.7 | 102.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q736 F740 | Q736-A738 PolarHBondContact O-N 3.14Å; A738-F740 PolarHBondContact O-N 2.97Å | ||
| 739 | V | 24.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 99.9 Ų | 99.9 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | trans | -61.9 | 107.3 | 169.5 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | Q737 I741 | Q737-V739 PolarHBondContact O-N 3.39Å; V739-I741 HydrophobicContact CG1-CG1 4.38Å; V739-I741 PolarHBondContact O-N 3.37Å | ||
| 740 | F | 24.1 | Very low | 39.8 | Very low | 193 Ų | 193 | 95.5 Ų | 95.5 | 85% | 0.846 | 52% | 0.522 | S | S | * | . | trans | -61.3 | 90.5 | 164.9 | -104.5 | -94.1 | 0 | 0 | 0 | 107.6 | A738 P742 | A738-F740 PolarHBondContact O-N 2.97Å; F740-P742 WeakPolarHBondContact O-CD 3.41Å; F740-P742 VanDerWaalsContact O-N 3.12Å | ||
| 741 | I | 28.4 | Very low | 41.6 | Very low | 136 Ų | 136 | 94.2 Ų | 94.2 | 70% | 0.697 | 51% | 0.51 | S | S | * | . | trans | -62.7 | 110.2 | 164.6 | -58.4 | 175.8 | 0 | 0 | 0 | 104.9 | V739 Q743 | V739-I741 HydrophobicContact CG1-CG1 4.38Å; V739-I741 PolarHBondContact O-N 3.37Å; I741-Q743 PolarHBondContact O-N 3.29Å | ||
| 742 | P | 30.5 | Very low | 43.3 | Very low | 106 Ų | 106 | 93.6 Ų | 93.6 | 69% | 0.688 | 50% | 0.504 | S | S | * | . | trans | -62.9 | 130 | 176.4 | -13.2 | 28.9 | 0 | 0 | 0 | 106.2 | F740 P744 | F740-P742 WeakPolarHBondContact O-CD 3.41Å; F740-P742 VanDerWaalsContact O-N 3.12Å; P742-P744 WeakPolarHBondContact O-CA 3.48Å; P742-P744 WeakPolarHBondContact O-CD 3.43Å | ||
| 743 | Q | 40.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 89.9 Ų | 89.9 | 72% | 0.724 | 48% | 0.48 | S | S | * | . | trans | -45.1 | 113.6 | 176.6 | -78.7 | -170.8 | -14.1 | 0 | 0 | 108.2 | I741 T745 | I741-Q743 PolarHBondContact O-N 3.29Å; Q743-T745 PolarHBondContact O-N 3.03Å | ||
| 744 | P | 52.2 | Low | 46.6 | Very low | 56 Ų | 56 | 90 Ų | 90 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | trans | -62.9 | 110.1 | -162.5 | 17.9 | -30.2 | 0 | 0 | 0 | 109.2 | P742 Y746 | P742-P744 WeakPolarHBondContact O-CA 3.48Å; P742-P744 WeakPolarHBondContact O-CD 3.43Å; P744-Y746 VanDerWaalsContact C-N 3.27Å; P744-Y746 HydrophobicContact CB-CE1 4.3Å; P744-Y746 HydrophobicContact CB-CE2 4.12Å; P744-Y746 HydrophobicContact CG-CE1 4.49Å; P744-Y746 HydrophobicContact CG-CE2 3.73Å; P744-Y746 WeakPolarHBondContact CG-OH 3.23Å; P744-Y746 WeakPolarHBondContact O-CD2 3.37Å; P744-Y746 WeakPolarHBondContact O-CE2 3.13Å; P744-Y746 PolarHBondContact O-N 2.64Å | ||
| 745 | T | 57.1 | Low | 48.1 | Very low | 75 Ų | 75 | 92.2 Ų | 92.2 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | trans | -73.1 | 85.8 | -178 | 52.2 | 0 | 0 | 0 | 0 | 108.7 | Q743 C747 | Q743-T745 PolarHBondContact O-N 3.03Å; T745-C747 PolarHBondContact O-N 2.74Å; T745-C747 VanDerWaalsContact O-N 3.16Å | ||
| 746 | Y | 64.5 | Low | 49.5 | Very low | 69 Ų | 69 | 87.8 Ų | 87.8 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | trans | -65 | 112.9 | -177.2 | -66.6 | -72.9 | 0 | 0 | 0 | 111 | L636 P684 Y685 L690 P744 | L636-Y746 HydrophobicContact CD1-CD1 4.11Å; L636-Y746 HydrophobicContact CD1-CG 4.4Å; L636-Y746 HydrophobicContact CD2-CD1 4.28Å; L636-Y746 HydrophobicContact CD2-CG 4.42Å; P684-Y746 WeakPolarHBondContact CA-O 3.34Å; Y685-Y746 WeakPolarHBondContact CD2-O 3.26Å; Y685-Y746 PolarHBondContact N-O 2.93Å; L690-Y746 HydrophobicContact CD1-CD2 4.36Å; P744-Y746 VanDerWaalsContact C-N 3.27Å; P744-Y746 HydrophobicContact CB-CE1 4.3Å; P744-Y746 HydrophobicContact CB-CE2 4.12Å; P744-Y746 HydrophobicContact CG-CE1 4.49Å; P744-Y746 HydrophobicContact CG-CE2 3.73Å; P744-Y746 WeakPolarHBondContact CG-OH 3.23Å; P744-Y746 WeakPolarHBondContact O-CD2 3.37Å; P744-Y746 WeakPolarHBondContact O-CE2 3.13Å; P744-Y746 PolarHBondContact O-N 2.64Å | ||
| 747 | C | 68.2 | Low | 50.8 | Low | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.034 | 44% | 0.444 | C | S | . | . | trans | -98.7 | 165.2 | 167.4 | -67.9 | 0 | 0 | 0 | 0 | 110.2 | L636 T745 G749 G750 | L636-C747 WeakPolarHBondContact CD2-O 3.49Å; T745-C747 PolarHBondContact O-N 2.74Å; T745-C747 VanDerWaalsContact O-N 3.16Å; C747-G749 PolarHBondContact O-N 3.4Å; C747-G750 PolarHBondContact O-N 3.05Å | ||
| 748 | I | 69.5 | Low | 52.6 | Low | 6 Ų | 6 | 79.2 Ų | 79.2 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 130.3 | 166.8 | -63.6 | 162.9 | 0 | 0 | 0 | 108.8 | Q679 Y685 V765 T768 R769 | Q679-I748 HydrophobicContact CB-CD1 4.25Å; Y685-I748 HydrophobicContact CE2-CG1 4.09Å; Y685-I748 WeakPolarHBondContact OH-CG1 3.32Å; I748-V765 HydrophobicContact CB-CG1 4.3Å; I748-V765 HydrophobicContact CG2-CB 4.36Å; I748-V765 HydrophobicContact CG2-CG1 3.84Å; I748-V765 HydrophobicContact CG2-CG2 4.29Å; I748-V765 WeakPolarHBondContact O-CG2 3.47Å; I748-T768 VanDerWaalsContact CG2-OG1 3.28Å; I748-T768 WeakPolarHBondContact CG2-OG1 3.29Å; I748-R769 VanDerWaalsContact CD1-NH2 3.31Å |
| 749 | G | 64.7 | Low | 54 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 4.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L635 C747 C753 | L635-G749 PolarHBondContact O-N 3.26Å; C747-G749 PolarHBondContact O-N 3.4Å; G749-C753 VanDerWaalsContact C-SG 3.57Å; G749-C753 PolarHBondContact O-SG 3.44Å; G749-C753 VanDerWaalsContact O-SG 3.33Å |
| 750 | G | 69.2 | Low | 55.7 | Low | 5 Ų | 5 | 77.9 Ų | 77.9 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | trans | 79.7 | -178.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L636 C747 Q752 C753 | L636-G750 WeakPolarHBondContact O-CA 3.46Å; L636-G750 PolarHBondContact O-N 3.39Å; C747-G750 PolarHBondContact O-N 3.05Å; G750-Q752 VanDerWaalsContact C-N 3.3Å; G750-Q752 PolarHBondContact O-N 2.96Å; G750-C753 WeakPolarHBondContact O-CB 3.45Å; G750-C753 PolarHBondContact O-N 3.23Å | ||
| 751 | F | 66.7 | Low | 57.7 | Low | 121 Ų | 121 | 70.9 Ų | 70.9 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -61.2 | -35 | -175.1 | -178.7 | -98.8 | 0 | 0 | 0 | 113.3 | C753 L754 | F751-C753 PolarHBondContact O-N 3.34Å; F751-C753 VanDerWaalsContact O-N 3.12Å; F751-L754 HydrophobicContact CD2-CD1 4.01Å; F751-L754 HydrophobicContact CE2-CD1 4.22Å; F751-L754 WeakPolarHBondContact O-CB 3.46Å; F751-L754 PolarHBondContact O-N 2.97Å |
| 752 | Q | 61.8 | Low | 59.5 | Low | 119 Ų | 119 | 67 Ų | 67 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -60.4 | -22.7 | 178.8 | -68.1 | 177 | -10.2 | 0 | 0 | 113.5 | P638 G750 L754 T755 A756 | P638-Q752 VanDerWaalsContact CB-OE1 3.31Å; P638-Q752 VanDerWaalsContact CG-OE1 3.23Å; G750-Q752 VanDerWaalsContact C-N 3.3Å; G750-Q752 PolarHBondContact O-N 2.96Å; Q752-L754 PolarHBondContact O-N 2.93Å; Q752-T755 PolarHBondContact O-N 3.39Å; Q752-T755 PolarHBondContact O-OG1 3.32Å; Q752-A756 PolarHBondContact O-N 3.28Å |
| 753 | C | 59.4 | Low | 61.1 | Low | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -64.6 | -22.1 | 172.8 | -76.5 | 0 | 0 | 0 | 0 | 112.9 | G749 G750 F751 T755 M761 | G749-C753 VanDerWaalsContact C-SG 3.57Å; G749-C753 PolarHBondContact O-SG 3.44Å; G749-C753 VanDerWaalsContact O-SG 3.33Å; G750-C753 WeakPolarHBondContact O-CB 3.45Å; G750-C753 PolarHBondContact O-N 3.23Å; F751-C753 PolarHBondContact O-N 3.34Å; F751-C753 VanDerWaalsContact O-N 3.12Å; C753-T755 VanDerWaalsContact C-N 3.33Å; C753-M761 HydrophobicContact CB-CG 4.06Å; C753-M761 WeakPolarHBondContact O-CE 3.37Å |
| 754 | L | 61.9 | Low | 62.4 | Low | 83 Ų | 83 | 59.1 Ų | 59.1 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -78 | -17.1 | 176.7 | -60.8 | 172.9 | 0 | 0 | 0 | 113.1 | F751 Q752 | F751-L754 HydrophobicContact CD2-CD1 4.01Å; F751-L754 HydrophobicContact CE2-CD1 4.22Å; F751-L754 WeakPolarHBondContact O-CB 3.46Å; F751-L754 PolarHBondContact O-N 2.97Å; Q752-L754 PolarHBondContact O-N 2.93Å |
| 755 | T | 59.1 | Low | 63.5 | Low | 110 Ų | 110 | 56.6 Ų | 56.6 | 68% | 0.675 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -13.4 | -178.1 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | Q752 C753 | Q752-T755 PolarHBondContact O-N 3.39Å; Q752-T755 PolarHBondContact O-OG1 3.32Å; C753-T755 VanDerWaalsContact C-N 3.33Å |
| 756 | A | 57.7 | Low | 64.3 | Low | 32 Ų | 32 | 53.2 Ų | 53.2 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.1 | 163.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q752 E760 | Q752-A756 PolarHBondContact O-N 3.28Å; A756-E760 HydrophobicContact CB-CB 4.2Å |
| 757 | S | 56.7 | Low | 64.7 | Low | 52 Ų | 52 | 51.2 Ų | 51.2 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | trans | -62.5 | 150.1 | 170.5 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | S759 E760 M761 | S757-S759 PolarHBondContact O-N 3.09Å; S757-S759 VanDerWaalsContact O-N 3.13Å; S757-S759 PolarHBondContact OG-OG 2.91Å; S757-S759 VanDerWaalsContact OG-OG 3.1Å; S757-E760 VanDerWaalsContact CB-OE2 3.22Å; S757-E760 WeakPolarHBondContact CB-OE2 3.22Å; S757-E760 PolarHBondContact N-OE2 3.1Å; S757-E760 PolarHBondContact O-N 3.49Å; S757-E760 VanDerWaalsContact OG-CG 3.28Å; S757-E760 WeakPolarHBondContact OG-CG 3.42Å; S757-E760 PolarHBondContact OG-N 3.29Å; S757-E760 PolarHBondContact OG-OE2 2.94Å; S757-M761 PolarHBondContact O-N 3.44Å | ||
| 758 | R | 62.3 | Low | 65.2 | Low | 133 Ų | 133 | 51 Ų | 51 | 50% | 0.502 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.6 | -35.9 | -178.2 | -176.7 | 175.8 | 175.8 | 161 | 3.6 | 112.8 | E762 | R758-E762 IonicContact CZ-OE1 2.77Å; R758-E762 IonicContact NE-OE1 2.88Å; R758-E762 PolarHBondContact NE-OE1 3.46Å; R758-E762 IonicContact NH2-OE1 3.9Å; R758-E762 WeakPolarHBondContact O-CB 3.13Å; R758-E762 WeakPolarHBondContact O-CG 3.43Å; R758-E762 PolarHBondContact O-N 2.84Å |
| 759 | S | 54.8 | Low | 65.8 | Low | 87 Ų | 87 | 50.9 Ų | 50.9 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.2 | -37.3 | 175.8 | 33.5 | 0 | 0 | 0 | 0 | 113.9 | S757 S763 | S757-S759 PolarHBondContact O-N 3.09Å; S757-S759 VanDerWaalsContact O-N 3.13Å; S757-S759 PolarHBondContact OG-OG 2.91Å; S757-S759 VanDerWaalsContact OG-OG 3.1Å; S759-S763 PolarHBondContact O-N 3.01Å |
| 760 | E | 59.5 | Low | 66.4 | Low | 89 Ų | 89 | 52.5 Ų | 52.5 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75.6 | -45.5 | 177.8 | -69.1 | 161.6 | 141.6 | 0 | 0 | 110.4 | A756 S757 E762 S763 Y764 | A756-E760 HydrophobicContact CB-CB 4.2Å; S757-E760 VanDerWaalsContact CB-OE2 3.22Å; S757-E760 WeakPolarHBondContact CB-OE2 3.22Å; S757-E760 PolarHBondContact N-OE2 3.1Å; S757-E760 PolarHBondContact O-N 3.49Å; S757-E760 VanDerWaalsContact OG-CG 3.28Å; S757-E760 WeakPolarHBondContact OG-CG 3.42Å; S757-E760 PolarHBondContact OG-N 3.29Å; S757-E760 PolarHBondContact OG-OE2 2.94Å; E760-E762 VanDerWaalsContact C-N 3.32Å; E760-E762 PolarHBondContact O-N 3.19Å; E760-S763 WeakPolarHBondContact O-CA 3.42Å; E760-S763 WeakPolarHBondContact O-CB 3.28Å; E760-S763 PolarHBondContact O-N 3.26Å; E760-Y764 HydrophobicContact CB-CD2 4.38Å; E760-Y764 HydrophobicContact CB-CE2 3.88Å; E760-Y764 WeakPolarHBondContact O-CD2 3.22Å; E760-Y764 PolarHBondContact O-N 2.75Å |
| 761 | M | 66.6 | Low | 67 | Low | 46 Ų | 46 | 53 Ų | 53 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -51.7 | -49.2 | 173.2 | -174.4 | -154.2 | -70.2 | 0 | 0 | 111.3 | C753 S757 S763 Y764 V765 | C753-M761 HydrophobicContact CB-CG 4.06Å; C753-M761 WeakPolarHBondContact O-CE 3.37Å; S757-M761 PolarHBondContact O-N 3.44Å; M761-S763 PolarHBondContact O-N 3.13Å; M761-Y764 PolarHBondContact O-N 3.49Å; M761-V765 HydrophobicContact CG-CG2 4.43Å; M761-V765 WeakPolarHBondContact O-CB 3.26Å; M761-V765 WeakPolarHBondContact O-CG2 3.24Å; M761-V765 PolarHBondContact O-N 3.03Å |
| 762 | E | 66 | Low | 67.9 | Low | 54 Ų | 54 | 47.2 Ų | 47.2 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -25.2 | 177.3 | -74.4 | -178.2 | -156.3 | 0 | 0 | 113.2 | R758 E760 L766 | R758-E762 IonicContact CZ-OE1 2.77Å; R758-E762 IonicContact NE-OE1 2.88Å; R758-E762 PolarHBondContact NE-OE1 3.46Å; R758-E762 IonicContact NH2-OE1 3.9Å; R758-E762 WeakPolarHBondContact O-CB 3.13Å; R758-E762 WeakPolarHBondContact O-CG 3.43Å; R758-E762 PolarHBondContact O-N 2.84Å; E760-E762 VanDerWaalsContact C-N 3.32Å; E760-E762 PolarHBondContact O-N 3.19Å; E762-L766 VanDerWaalsContact O-CB 3.28Å; E762-L766 WeakPolarHBondContact O-CB 3.45Å; E762-L766 PolarHBondContact O-N 3.01Å |
| 763 | S | 64 | Low | 68.9 | Low | 15 Ų | 15 | 41.7 Ų | 41.7 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.8 | -51 | 173.2 | -149 | 0 | 0 | 0 | 0 | 112.6 | S759 E760 M761 V765 L766 E767 T1160 | S759-S763 PolarHBondContact O-N 3.01Å; E760-S763 WeakPolarHBondContact O-CA 3.42Å; E760-S763 WeakPolarHBondContact O-CB 3.28Å; E760-S763 PolarHBondContact O-N 3.26Å; M761-S763 PolarHBondContact O-N 3.13Å; S763-V765 VanDerWaalsContact C-N 3.3Å; S763-V765 PolarHBondContact O-N 3.15Å; S763-L766 PolarHBondContact O-N 3.05Å; S763-E767 WeakPolarHBondContact O-CG 3.24Å; S763-E767 PolarHBondContact O-N 3.39Å; S763-E767 PolarHBondContact OG-OE1 2.88Å; S763-T1160 WeakPolarHBondContact OG-CG2 3.37Å; S763-T1160 PolarHBondContact OG-N 3.44Å |
| 764 | Y | 68.7 | Low | 70 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59 | -43.5 | 178.8 | -61.4 | -52.6 | 0 | 0 | 0 | 111.4 | R643 E760 M761 L766 E767 T768 | R643-Y764 PolarHBondContact NH1-O 3.14Å; E760-Y764 HydrophobicContact CB-CD2 4.38Å; E760-Y764 HydrophobicContact CB-CE2 3.88Å; E760-Y764 WeakPolarHBondContact O-CD2 3.22Å; E760-Y764 PolarHBondContact O-N 2.75Å; M761-Y764 PolarHBondContact O-N 3.49Å; Y764-L766 PolarHBondContact O-N 3.04Å; Y764-E767 PolarHBondContact O-N 3.15Å; Y764-T768 WeakPolarHBondContact O-CG2 3.38Å; Y764-T768 PolarHBondContact O-N 3.29Å; Y764-T768 PolarHBondContact O-OG1 3.12Å; Y764-T768 VanDerWaalsContact O-OG1 3.06Å |
| 765 | V | 75.6 | Confident | 71 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -28.7 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 113.2 | T681 I748 M761 S763 T768 R769 | T681-V765 HydrophobicContact CG2-CG1 3.78Å; I748-V765 HydrophobicContact CB-CG1 4.3Å; I748-V765 HydrophobicContact CG2-CB 4.36Å; I748-V765 HydrophobicContact CG2-CG1 3.84Å; I748-V765 HydrophobicContact CG2-CG2 4.29Å; I748-V765 WeakPolarHBondContact O-CG2 3.47Å; M761-V765 HydrophobicContact CG-CG2 4.43Å; M761-V765 WeakPolarHBondContact O-CB 3.26Å; M761-V765 WeakPolarHBondContact O-CG2 3.24Å; M761-V765 PolarHBondContact O-N 3.03Å; S763-V765 VanDerWaalsContact C-N 3.3Å; S763-V765 PolarHBondContact O-N 3.15Å; V765-T768 WeakPolarHBondContact CA-OG1 3.42Å; V765-T768 PolarHBondContact O-OG1 3.01Å; V765-R769 VanDerWaalsContact CG1-NE 3.29Å; V765-R769 WeakPolarHBondContact O-CD 3.45Å; V765-R769 WeakPolarHBondContact O-CG 3.44Å; V765-R769 PolarHBondContact O-NE 3.4Å |
| 766 | L | 73.7 | Confident | 72.2 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.7 | -44 | 174.4 | -176.9 | 65 | 0 | 0 | 0 | 111.2 | E762 S763 Y764 R769 I770 F851 T1160 L1164 | E762-L766 VanDerWaalsContact O-CB 3.28Å; E762-L766 WeakPolarHBondContact O-CB 3.45Å; E762-L766 PolarHBondContact O-N 3.01Å; S763-L766 PolarHBondContact O-N 3.05Å; Y764-L766 PolarHBondContact O-N 3.04Å; L766-R769 PolarHBondContact O-N 3.49Å; L766-I770 HydrophobicContact CD1-CD1 4.35Å; L766-I770 HydrophobicContact CG-CD1 4.02Å; L766-I770 WeakPolarHBondContact O-CG1 3.19Å; L766-I770 PolarHBondContact O-N 2.91Å; L766-F851 HydrophobicContact CD1-CE1 3.7Å; L766-F851 HydrophobicContact CD1-CZ 4.32Å; L766-T1160 HydrophobicContact CB-CG2 4.3Å; L766-T1160 HydrophobicContact CD2-CG2 3.72Å; L766-L1164 HydrophobicContact CD2-CD1 4.14Å; L766-L1164 HydrophobicContact CD2-CD2 4.42Å; L766-L1164 HydrophobicContact CD2-CG 4.28Å |
| 767 | E | 71.7 | Confident | 73.1 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 13% | 0.131 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -39.1 | -177.9 | -68.8 | 163.6 | -153.8 | 0 | 0 | 112.6 | R643 S763 Y764 R769 I770 S771 | R643-E767 IonicContact CZ-OE2 3.16Å; R643-E767 IonicContact NH1-OE2 3.38Å; R643-E767 IonicContact NH2-OE2 2.83Å; R643-E767 PolarHBondContact NH2-OE2 3.08Å; S763-E767 WeakPolarHBondContact O-CG 3.24Å; S763-E767 PolarHBondContact O-N 3.39Å; S763-E767 PolarHBondContact OG-OE1 2.88Å; Y764-E767 PolarHBondContact O-N 3.15Å; E767-R769 PolarHBondContact O-N 3.48Å; E767-I770 PolarHBondContact O-N 2.94Å; E767-S771 PolarHBondContact O-N 3.06Å; E767-S771 PolarHBondContact O-OG 3.26Å |
| 768 | T | 79.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 172.6 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | I634 I748 Y764 V765 S771 A772 | I634-T768 WeakPolarHBondContact O-CG2 3.37Å; I748-T768 VanDerWaalsContact CG2-OG1 3.28Å; I748-T768 WeakPolarHBondContact CG2-OG1 3.29Å; Y764-T768 WeakPolarHBondContact O-CG2 3.38Å; Y764-T768 PolarHBondContact O-N 3.29Å; Y764-T768 PolarHBondContact O-OG1 3.12Å; Y764-T768 VanDerWaalsContact O-OG1 3.06Å; V765-T768 WeakPolarHBondContact CA-OG1 3.42Å; V765-T768 PolarHBondContact O-OG1 3.01Å; T768-S771 PolarHBondContact O-N 3.27Å; T768-A772 PolarHBondContact O-N 2.9Å |
| 769 | R | 83 | Confident | 75.1 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.1 | -69.8 | 168.4 | -165.2 | -108.6 | 6.1 | 112.2 | V677 Q679 I748 V765 L766 E767 S771 A772 V773 I852 | V677-R769 HydrophobicContact CG1-CB 4.46Å; V677-R769 HydrophobicContact CG1-CG 4.42Å; V677-R769 PolarHBondContact O-NH1 3.14Å; Q679-R769 PolarHBondContact O-NH1 3.01Å; Q679-R769 PolarHBondContact O-NH2 2.83Å; I748-R769 VanDerWaalsContact CD1-NH2 3.31Å; V765-R769 VanDerWaalsContact CG1-NE 3.29Å; V765-R769 WeakPolarHBondContact O-CD 3.45Å; V765-R769 WeakPolarHBondContact O-CG 3.44Å; V765-R769 PolarHBondContact O-NE 3.4Å; L766-R769 PolarHBondContact O-N 3.49Å; E767-R769 PolarHBondContact O-N 3.48Å; R769-S771 VanDerWaalsContact C-N 3.31Å; R769-S771 PolarHBondContact O-N 3.01Å; R769-A772 PolarHBondContact O-N 3.05Å; R769-V773 WeakPolarHBondContact O-CB 3.32Å; R769-V773 VanDerWaalsContact O-CG2 3.24Å; R769-V773 WeakPolarHBondContact O-CG2 3.32Å; R769-V773 PolarHBondContact O-N 3.13Å; R769-I852 HydrophobicContact CG-CD1 4.45Å |
| 770 | I | 77.3 | Confident | 76.1 | Confident | 34 Ų | 34 | 26.2 Ų | 26.2 | 17% | 0.174 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.4 | -69.6 | 167 | 0 | 0 | 0 | 110.8 | L766 E767 R774 L855 | L766-I770 HydrophobicContact CD1-CD1 4.35Å; L766-I770 HydrophobicContact CG-CD1 4.02Å; L766-I770 WeakPolarHBondContact O-CG1 3.19Å; L766-I770 PolarHBondContact O-N 2.91Å; E767-I770 PolarHBondContact O-N 2.94Å; I770-R774 WeakPolarHBondContact O-CG 3.33Å; I770-R774 PolarHBondContact O-N 3Å; I770-R774 VanDerWaalsContact O-N 3.15Å; I770-L855 HydrophobicContact CG1-CD1 4.35Å |
| 771 | S | 81.2 | Confident | 76.7 | Confident | 15 Ų | 15 | 22.7 Ų | 22.7 | 11% | 0.105 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 174.4 | -71.7 | 0 | 0 | 0 | 0 | 112.7 | T647 E767 T768 R769 V773 R774 V775 | T647-S771 WeakPolarHBondContact OG1-CB 3.35Å; E767-S771 PolarHBondContact O-N 3.06Å; E767-S771 PolarHBondContact O-OG 3.26Å; T768-S771 PolarHBondContact O-N 3.27Å; R769-S771 VanDerWaalsContact C-N 3.31Å; R769-S771 PolarHBondContact O-N 3.01Å; S771-V773 PolarHBondContact O-N 3.42Å; S771-R774 WeakPolarHBondContact O-CB 3.13Å; S771-R774 PolarHBondContact O-N 3.3Å; S771-V775 PolarHBondContact O-N 2.94Å |
| 772 | A | 85.2 | Confident | 77 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F631 I634 L635 V677 T768 R769 R774 V775 L776 | F631-A772 HydrophobicContact CE2-CB 3.88Å; F631-A772 HydrophobicContact CZ-CB 3.96Å; I634-A772 HydrophobicContact CG2-CB 4.12Å; L635-A772 HydrophobicContact CD2-CB 3.9Å; L635-A772 HydrophobicContact CG-CB 4.5Å; V677-A772 HydrophobicContact CG2-CB 3.81Å; T768-A772 PolarHBondContact O-N 2.9Å; R769-A772 PolarHBondContact O-N 3.05Å; A772-R774 VanDerWaalsContact C-N 3.32Å; A772-R774 PolarHBondContact O-N 3.37Å; A772-V775 PolarHBondContact O-N 2.95Å; A772-L776 PolarHBondContact O-N 3.35Å |
| 773 | V | 83.7 | Confident | 77.4 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 112 | V677 R769 S771 L776 A777 I852 L855 L856 | V677-V773 HydrophobicContact CG1-CG2 3.95Å; R769-V773 WeakPolarHBondContact O-CB 3.32Å; R769-V773 VanDerWaalsContact O-CG2 3.24Å; R769-V773 WeakPolarHBondContact O-CG2 3.32Å; R769-V773 PolarHBondContact O-N 3.13Å; S771-V773 PolarHBondContact O-N 3.42Å; V773-L776 PolarHBondContact O-N 2.98Å; V773-A777 WeakPolarHBondContact O-CB 3.42Å; V773-A777 PolarHBondContact O-N 3.37Å; V773-I852 HydrophobicContact CG2-CG2 3.91Å; V773-L855 HydrophobicContact CG1-CB 3.97Å; V773-L856 HydrophobicContact CG1-CB 4.14Å; V773-L856 HydrophobicContact CG1-CD1 4.33Å |
| 774 | R | 81.5 | Confident | 77.5 | Confident | 90 Ų | 90 | 21 Ų | 21 | 34% | 0.34 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 174 | -73.8 | 170.2 | 175.8 | -177.8 | -1.7 | 111.4 | I770 S771 A772 A777 Y778 | I770-R774 WeakPolarHBondContact O-CG 3.33Å; I770-R774 PolarHBondContact O-N 3Å; I770-R774 VanDerWaalsContact O-N 3.15Å; S771-R774 WeakPolarHBondContact O-CB 3.13Å; S771-R774 PolarHBondContact O-N 3.3Å; A772-R774 VanDerWaalsContact C-N 3.32Å; A772-R774 PolarHBondContact O-N 3.37Å; R774-A777 PolarHBondContact O-N 3.25Å; R774-Y778 WeakPolarHBondContact O-CD2 3.36Å; R774-Y778 PolarHBondContact O-N 3.31Å; R774-Y778 VanDerWaalsContact O-N 3.09Å |
| 775 | V | 84.5 | Confident | 77.4 | Confident | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.03 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | F631 I634 T647 T650 I651 I654 S771 A772 A777 Y778 L779 | F631-V775 HydrophobicContact CD2-CB 4.46Å; F631-V775 HydrophobicContact CD2-CG1 4.05Å; F631-V775 HydrophobicContact CE2-CB 4.48Å; F631-V775 HydrophobicContact CE2-CG1 4.41Å; I634-V775 HydrophobicContact CD1-CG2 3.68Å; T647-V775 HydrophobicContact CG2-CG2 4.24Å; T650-V775 HydrophobicContact CG2-CG1 3.61Å; T650-V775 HydrophobicContact CG2-CG2 4.26Å; I651-V775 HydrophobicContact CG1-CG2 4.3Å; I654-V775 HydrophobicContact CD1-CG1 3.77Å; S771-V775 PolarHBondContact O-N 2.94Å; A772-V775 PolarHBondContact O-N 2.95Å; V775-A777 VanDerWaalsContact C-N 3.29Å; V775-A777 PolarHBondContact O-N 2.81Å; V775-Y778 PolarHBondContact O-N 2.92Å; V775-L779 WeakPolarHBondContact O-CB 3.19Å; V775-L779 PolarHBondContact O-N 2.84Å |
| 776 | L | 84.1 | Confident | 76.9 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.2 | -37.1 | 176.6 | -73 | 176.5 | 0 | 0 | 0 | 112.8 | F631 L670 W673 L674 V677 A772 V773 L779 C780 L856 | F631-L776 HydrophobicContact CE2-CD1 4.31Å; F631-L776 HydrophobicContact CE2-CD2 4.02Å; F631-L776 HydrophobicContact CE2-CG 3.75Å; F631-L776 HydrophobicContact CZ-CD1 3.89Å; F631-L776 HydrophobicContact CZ-CD2 4.02Å; F631-L776 HydrophobicContact CZ-CG 3.8Å; L670-L776 HydrophobicContact CD1-CD2 4.17Å; W673-L776 HydrophobicContact CB-CD2 3.97Å; W673-L776 HydrophobicContact CE3-CD2 4.25Å; L674-L776 HydrophobicContact CD2-CD1 4.06Å; V677-L776 HydrophobicContact CG2-CD1 3.97Å; A772-L776 PolarHBondContact O-N 3.35Å; V773-L776 PolarHBondContact O-N 2.98Å; L776-L779 HydrophobicContact CD2-CD2 4.43Å; L776-L779 PolarHBondContact O-N 3.13Å; L776-C780 WeakPolarHBondContact O-CB 3.44Å; L776-C780 PolarHBondContact O-N 3.22Å; L776-C780 PolarHBondContact O-SG 3.31Å; L776-L856 HydrophobicContact CB-CD1 3.59Å |
| 777 | A | 76.3 | Confident | 76.1 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V773 R774 V775 L779 C780 S781 L856 C859 W860 L863 | V773-A777 WeakPolarHBondContact O-CB 3.42Å; V773-A777 PolarHBondContact O-N 3.37Å; R774-A777 PolarHBondContact O-N 3.25Å; V775-A777 VanDerWaalsContact C-N 3.29Å; V775-A777 PolarHBondContact O-N 2.81Å; A777-L779 VanDerWaalsContact C-N 3.32Å; A777-L779 PolarHBondContact O-N 3.43Å; A777-C780 PolarHBondContact O-N 3.27Å; A777-S781 PolarHBondContact O-N 3.36Å; A777-L856 HydrophobicContact CB-CD1 4.36Å; A777-C859 HydrophobicContact CB-CB 3.38Å; A777-W860 HydrophobicContact CB-CB 4.35Å; A777-L863 HydrophobicContact CB-CD1 4.12Å; A777-L863 WeakPolarHBondContact O-CD1 3.42Å |
| 778 | Y | 79.2 | Confident | 75.4 | Confident | 73 Ų | 73 | 31.8 Ų | 31.8 | 29% | 0.286 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59 | -44.2 | 174.7 | -89.1 | -79.2 | 0 | 0 | 0 | 111.6 | I651 R774 V775 S781 R782 L863 | I651-Y778 HydrophobicContact CD1-CD2 3.92Å; I651-Y778 HydrophobicContact CD1-CE2 3.92Å; I651-Y778 HydrophobicContact CG1-CD2 3.88Å; I651-Y778 HydrophobicContact CG1-CE2 4.28Å; I651-Y778 HydrophobicContact CG1-CG 4.37Å; I651-Y778 HydrophobicContact CG2-CD1 4.11Å; I651-Y778 HydrophobicContact CG2-CD2 4.05Å; I651-Y778 HydrophobicContact CG2-CE1 4.07Å; I651-Y778 HydrophobicContact CG2-CE2 4.02Å; I651-Y778 HydrophobicContact CG2-CG 4.11Å; R774-Y778 WeakPolarHBondContact O-CD2 3.36Å; R774-Y778 PolarHBondContact O-N 3.31Å; R774-Y778 VanDerWaalsContact O-N 3.09Å; V775-Y778 PolarHBondContact O-N 2.92Å; Y778-S781 PolarHBondContact O-N 2.93Å; Y778-R782 PolarHBondContact O-N 3.42Å; Y778-R782 VanDerWaalsContact O-N 3.13Å; Y778-L863 HydrophobicContact CD1-CD1 4.36Å; Y778-L863 HydrophobicContact CD1-CD2 3.62Å; Y778-L863 HydrophobicContact CD2-CD2 4.41Å; Y778-L863 HydrophobicContact CE1-CD2 3.28Å; Y778-L863 HydrophobicContact CE2-CD2 4.14Å; Y778-L863 HydrophobicContact CG-CD1 4.29Å; Y778-L863 HydrophobicContact CG-CD2 4.17Å |
| 779 | L | 82.4 | Confident | 74.2 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -54.2 | 175.8 | 179.7 | 71.4 | 0 | 0 | 0 | 111.8 | I654 L662 L670 W673 V775 L776 A777 S781 R782 I783 | I654-L779 HydrophobicContact CD1-CB 4.22Å; L662-L779 HydrophobicContact CD1-CD1 3.83Å; L662-L779 HydrophobicContact CD2-CD1 4.39Å; L662-L779 HydrophobicContact CG-CD1 4.15Å; L670-L779 HydrophobicContact CD1-CD2 4Å; W673-L779 HydrophobicContact CE3-CD2 3.84Å; W673-L779 HydrophobicContact CZ3-CD2 3.49Å; W673-L779 VanDerWaalsContact CZ3-CD2 3.49Å; V775-L779 WeakPolarHBondContact O-CB 3.19Å; V775-L779 PolarHBondContact O-N 2.84Å; L776-L779 HydrophobicContact CD2-CD2 4.43Å; L776-L779 PolarHBondContact O-N 3.13Å; A777-L779 VanDerWaalsContact C-N 3.32Å; A777-L779 PolarHBondContact O-N 3.43Å; L779-S781 VanDerWaalsContact C-N 3.25Å; L779-S781 PolarHBondContact O-N 2.78Å; L779-R782 PolarHBondContact O-N 2.99Å; L779-R782 VanDerWaalsContact O-N 3.12Å; L779-I783 HydrophobicContact CD1-CD1 4.06Å; L779-I783 HydrophobicContact CD1-CG1 4.37Å; L779-I783 HydrophobicContact CD2-CD1 4.31Å; L779-I783 HydrophobicContact CG-CD1 3.75Å; L779-I783 HydrophobicContact CG-CG1 4.4Å; L779-I783 WeakPolarHBondContact O-CG1 3.36Å; L779-I783 PolarHBondContact O-N 2.92Å |
| 780 | C | 75.2 | Confident | 72.9 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -35.4 | 179.3 | -73.7 | 0 | 0 | 0 | 0 | 112.6 | L776 A777 C784 W860 | L776-C780 WeakPolarHBondContact O-CB 3.44Å; L776-C780 PolarHBondContact O-N 3.22Å; L776-C780 PolarHBondContact O-SG 3.31Å; A777-C780 PolarHBondContact O-N 3.27Å; C780-C784 PolarHBondContact O-N 3.36Å; C780-C784 PolarHBondContact O-SG 3.49Å; C780-W860 HydrophobicContact CB-CG 4.27Å; C780-W860 PolarHBondContact O-NE1 3.3Å |
| 781 | S | 72 | Confident | 71.8 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | A777 Y778 L779 Q785 L863 | A777-S781 PolarHBondContact O-N 3.36Å; Y778-S781 PolarHBondContact O-N 2.93Å; L779-S781 VanDerWaalsContact C-N 3.25Å; L779-S781 PolarHBondContact O-N 2.78Å; S781-Q785 PolarHBondContact O-NE2 2.81Å; S781-L863 WeakPolarHBondContact OG-CB 3.42Å |
| 782 | R | 72.6 | Confident | 70.3 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.1 | -42.7 | 177.2 | -69.8 | -72.1 | -97.7 | 154.9 | -8.1 | 112.4 | I654 Q655 A657 L662 Y778 L779 C784 Q785 | I654-R782 HydrophobicContact CG2-CB 4.42Å; I654-R782 HydrophobicContact CG2-CG 3.95Å; I654-R782 PolarHBondContact O-NE 3.29Å; Q655-R782 PolarHBondContact O-NH2 3.28Å; A657-R782 PolarHBondContact O-NH2 3.39Å; L662-R782 HydrophobicContact CD2-CB 3.49Å; L662-R782 VanDerWaalsContact CD2-CB 3.49Å; L662-R782 HydrophobicContact CD2-CG 4.31Å; Y778-R782 PolarHBondContact O-N 3.42Å; Y778-R782 VanDerWaalsContact O-N 3.13Å; L779-R782 PolarHBondContact O-N 2.99Å; L779-R782 VanDerWaalsContact O-N 3.12Å; R782-C784 PolarHBondContact O-N 3.24Å; R782-Q785 VanDerWaalsContact O-CB 3.3Å; R782-Q785 WeakPolarHBondContact O-CB 3.42Å; R782-Q785 PolarHBondContact O-N 3.45Å |
| 783 | I | 74.5 | Confident | 68.8 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.4 | -37.4 | 176.4 | -67.1 | 169.9 | 0 | 0 | 0 | 111.5 | V663 S666 L779 Q785 Y786 V828 V832 | V663-I783 HydrophobicContact CG2-CB 4.43Å; V663-I783 HydrophobicContact CG2-CG1 4.42Å; V663-I783 HydrophobicContact CG2-CG2 4.16Å; S666-I783 VanDerWaalsContact OG-CD1 3.27Å; S666-I783 WeakPolarHBondContact OG-CD1 3.44Å; L779-I783 HydrophobicContact CD1-CD1 4.06Å; L779-I783 HydrophobicContact CD1-CG1 4.37Å; L779-I783 HydrophobicContact CD2-CD1 4.31Å; L779-I783 HydrophobicContact CG-CD1 3.75Å; L779-I783 HydrophobicContact CG-CG1 4.4Å; L779-I783 WeakPolarHBondContact O-CG1 3.36Å; L779-I783 PolarHBondContact O-N 2.92Å; I783-Q785 PolarHBondContact O-N 3.4Å; I783-Q785 VanDerWaalsContact O-N 3.13Å; I783-Y786 PolarHBondContact O-N 3.02Å; I783-V828 HydrophobicContact CG2-CG1 3.85Å; I783-V832 HydrophobicContact CG2-CG2 3.6Å |
| 784 | C | 66.1 | Low | 67.3 | Low | 35 Ų | 35 | 49.7 Ų | 49.7 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -4.7 | 179.2 | -66.8 | 0 | 0 | 0 | 0 | 114.7 | C780 R782 L829 | C780-C784 PolarHBondContact O-N 3.36Å; C780-C784 PolarHBondContact O-SG 3.49Å; R782-C784 PolarHBondContact O-N 3.24Å; C784-L829 HydrophobicContact CB-CD1 4.06Å |
| 785 | Q | 67.2 | Low | 66 | Low | 38 Ų | 38 | 46.7 Ų | 46.7 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -10.7 | 176.2 | -61.3 | 165.5 | 15.8 | 0 | 0 | 112.5 | V659 S781 R782 I783 N787 | V659-Q785 HydrophobicContact CG1-CB 4.24Å; S781-Q785 PolarHBondContact O-NE2 2.81Å; R782-Q785 VanDerWaalsContact O-CB 3.3Å; R782-Q785 WeakPolarHBondContact O-CB 3.42Å; R782-Q785 PolarHBondContact O-N 3.45Å; I783-Q785 PolarHBondContact O-N 3.4Å; I783-Q785 VanDerWaalsContact O-N 3.13Å; Q785-N787 PolarHBondContact O-N 3.04Å; Q785-N787 VanDerWaalsContact O-N 3.15Å |
| 786 | Y | 64.7 | Low | 64.1 | Low | 34 Ų | 34 | 49.6 Ų | 49.6 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | trans | -75.1 | 102.8 | -178.7 | -171 | -88 | 0 | 0 | 0 | 111.4 | V659 D660 V663 I783 K788 V828 | V659-Y786 HydrophobicContact CG1-CD2 4.34Å; D660-Y786 HydrophobicContact CB-CD2 4.43Å; D660-Y786 HydrophobicContact CB-CE2 3.94Å; D660-Y786 VanDerWaalsContact CG-CE2 3.45Å; D660-Y786 VanDerWaalsContact OD1-CD2 3.29Å; D660-Y786 WeakPolarHBondContact OD1-CD2 3.26Å; D660-Y786 VanDerWaalsContact OD1-CE2 3.22Å; D660-Y786 WeakPolarHBondContact OD1-CE2 3.46Å; V663-Y786 HydrophobicContact CB-CD2 4.22Å; V663-Y786 HydrophobicContact CG2-CD2 3.82Å; V663-Y786 HydrophobicContact CG2-CG 3.88Å; I783-Y786 PolarHBondContact O-N 3.02Å; Y786-K788 HydrophobicContact CD1-CB 4Å; Y786-K788 WeakPolarHBondContact CD1-O 3.28Å; Y786-K788 HydrophobicContact CE1-CB 3.45Å; Y786-K788 VanDerWaalsContact CE1-CB 3.45Å; Y786-K788 WeakPolarHBondContact CE1-O 3.38Å; Y786-K788 HydrophobicContact CE2-CB 4.29Å; Y786-K788 HydrophobicContact CE2-CD 4.44Å; Y786-V828 HydrophobicContact CD1-CB 4.4Å; Y786-V828 HydrophobicContact CD1-CG2 3.34Å; Y786-V828 HydrophobicContact CE1-CG2 3.89Å; Y786-V828 HydrophobicContact CG-CG2 4.29Å | ||
| 787 | N | 56.8 | Low | 61.8 | Low | 150 Ų | 150 | 54.9 Ų | 54.9 | 80% | 0.802 | 29% | 0.293 | S | S | * | . | trans | -85.2 | -3.6 | -179.4 | -80.1 | -34 | 0 | 0 | 0 | 114.4 | Q785 | Q785-N787 PolarHBondContact O-N 3.04Å; Q785-N787 VanDerWaalsContact O-N 3.15Å | ||
| 788 | K | 57.7 | Low | 59.9 | Low | 120 Ų | 120 | 62.3 Ų | 62.3 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -81.2 | 159.2 | 175.7 | -68.2 | 170.7 | -175.6 | 170 | 0 | 110.3 | D660 Y786 | D660-K788 IonicContact OD1-NZ 2.71Å; D660-K788 WeakPolarHBondContact OD2-CD 3.39Å; D660-K788 IonicContact OD2-NZ 2.85Å; D660-K788 PolarHBondContact OD2-NZ 3.17Å; Y786-K788 HydrophobicContact CD1-CB 4Å; Y786-K788 WeakPolarHBondContact CD1-O 3.28Å; Y786-K788 HydrophobicContact CE1-CB 3.45Å; Y786-K788 VanDerWaalsContact CE1-CB 3.45Å; Y786-K788 WeakPolarHBondContact CE1-O 3.38Å; Y786-K788 HydrophobicContact CE2-CB 4.29Å; Y786-K788 HydrophobicContact CE2-CD 4.44Å |
| 789 | L | 53.8 | Low | 57.4 | Low | 99 Ų | 99 | 63.2 Ų | 63.2 | 52% | 0.518 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 129.9 | 175.9 | -64.7 | 167.7 | 0 | 0 | 0 | 109 | P791 S825 | L789-P791 WeakPolarHBondContact O-CD 3.47Å; L789-S825 VanDerWaalsContact CD1-CB 3.48Å |
| 790 | I | 55.9 | Low | 54.9 | Low | 15 Ų | 15 | 70.6 Ų | 70.6 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 122.2 | 175.2 | -74.5 | 155.4 | 0 | 0 | 0 | 108.6 | I667 L794 L795 V828 | I667-I790 HydrophobicContact CD1-CD1 3.52Å; I667-I790 HydrophobicContact CD1-CG1 4.42Å; I790-L794 HydrophobicContact CG2-CB 3.88Å; I790-L795 HydrophobicContact CG2-CD1 4.23Å; I790-L795 HydrophobicContact CG2-CG 3.93Å; I790-V828 HydrophobicContact CD1-CB 4.02Å; I790-V828 HydrophobicContact CD1-CG1 4.05Å; I790-V828 HydrophobicContact CD1-CG2 3.48Å; I790-V828 VanDerWaalsContact CD1-CG2 3.48Å; I790-V828 HydrophobicContact CG1-CG2 3.55Å |
| 791 | P | 52.6 | Low | 52.6 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 34% | 0.338 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 138.4 | 171.5 | 30.5 | -35.8 | 0 | 0 | 0 | 109.8 | L789 H793 L794 | L789-P791 WeakPolarHBondContact O-CD 3.47Å; P791-H793 VanDerWaalsContact CB-CE1 3.49Å; P791-H793 WeakPolarHBondContact CB-CE1 3.4Å; P791-H793 VanDerWaalsContact CG-CE1 3.44Å; P791-H793 WeakPolarHBondContact CG-CE1 3.49Å; P791-H793 PolarHBondContact O-N 2.99Å; P791-L794 HydrophobicContact CG-CD1 3.95Å; P791-L794 HydrophobicContact CG-CG 4.26Å; P791-L794 PolarHBondContact O-N 2.76Å |
| 792 | V | 51 | Low | 50.6 | Low | 117 Ų | 117 | 82.8 Ų | 82.8 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -57.2 | -23.5 | -164.7 | -178.7 | 0 | 0 | 0 | 0 | 114.1 | L794 L795 | V792-L794 VanDerWaalsContact C-N 3.29Å; V792-L794 PolarHBondContact O-N 3.18Å; V792-L795 PolarHBondContact O-N 2.98Å |
| 793 | H | 53.4 | Low | 48.4 | Very low | 136 Ų | 136 | 88.9 Ų | 88.9 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -71.9 | -12.8 | 177.4 | 67.6 | -100.4 | 0 | 0 | 0 | 115.2 | P791 | P791-H793 VanDerWaalsContact CB-CE1 3.49Å; P791-H793 WeakPolarHBondContact CB-CE1 3.4Å; P791-H793 VanDerWaalsContact CG-CE1 3.44Å; P791-H793 WeakPolarHBondContact CG-CE1 3.49Å; P791-H793 PolarHBondContact O-N 2.99Å |
| 794 | L | 51.3 | Low | 46.3 | Very low | 12 Ų | 12 | 94.9 Ų | 94.9 | 6% | 0.063 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -91.3 | -13.1 | 174.3 | -68.7 | 179.1 | 0 | 0 | 0 | 113.1 | E664 I790 P791 V792 | E664-L794 HydrophobicContact CG-CD1 4.32Å; E664-L794 HydrophobicContact CG-CD2 4.01Å; I790-L794 HydrophobicContact CG2-CB 3.88Å; P791-L794 HydrophobicContact CG-CD1 3.95Å; P791-L794 HydrophobicContact CG-CG 4.26Å; P791-L794 PolarHBondContact O-N 2.76Å; V792-L794 VanDerWaalsContact C-N 3.29Å; V792-L794 PolarHBondContact O-N 3.18Å |
| 795 | L | 53.9 | Low | 44.4 | Very low | 27 Ų | 27 | 98.4 Ų | 98.4 | 14% | 0.141 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -79.2 | 134.3 | 173.8 | -74.2 | 156.1 | 0 | 0 | 0 | 109.8 | I790 V792 C797 Y831 | I790-L795 HydrophobicContact CG2-CD1 4.23Å; I790-L795 HydrophobicContact CG2-CG 3.93Å; V792-L795 PolarHBondContact O-N 2.98Å; L795-C797 PolarHBondContact O-N 3.45Å; L795-Y831 HydrophobicContact CD2-CD1 4.49Å; L795-Y831 HydrophobicContact CD2-CD2 3.28Å; L795-Y831 HydrophobicContact CD2-CE2 3.34Å; L795-Y831 HydrophobicContact CD2-CG 3.89Å |
| 796 | P | 46.1 | Very low | 42.7 | Very low | 66 Ų | 66 | 102.7 Ų | 102.7 | 43% | 0.429 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 131.8 | 173.7 | 25.3 | -32.6 | 0 | 0 | 0 | 109.6 | I798 Y831 | P796-I798 PolarHBondContact O-N 2.88Å; P796-I798 VanDerWaalsContact O-N 3.15Å; P796-Y831 VanDerWaalsContact CD-OH 3.28Å; P796-Y831 WeakPolarHBondContact CD-OH 3.31Å; P796-Y831 WeakPolarHBondContact CG-OH 3.3Å |
| 797 | C | 36.1 | Very low | 40.9 | Very low | 115 Ų | 115 | 106.2 Ų | 106.2 | 78% | 0.777 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 116.5 | -165.8 | -70.9 | 0 | 0 | 0 | 0 | 112.6 | L795 S799 | L795-C797 PolarHBondContact O-N 3.45Å; C797-S799 PolarHBondContact O-N 3.3Å |
| 798 | I | 35.4 | Very low | 39.7 | Very low | 156 Ų | 156 | 104.4 Ų | 104.4 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -81.9 | 59.4 | 177.5 | -48.5 | 177.4 | 0 | 0 | 0 | 109.5 | P796 | P796-I798 PolarHBondContact O-N 2.88Å; P796-I798 VanDerWaalsContact O-N 3.15Å |
| 799 | S | 27.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 106.3 Ų | 106.3 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -172.2 | 94.1 | 167.9 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | C797 | C797-S799 PolarHBondContact O-N 3.3Š| ||
| 800 | D | 29.2 | Very low | 37.2 | Very low | 157 Ų | 157 | 106.5 Ų | 106.5 | 84% | 0.84 | 63% | 0.631 | S | S | * | * | trans | -151.5 | 79.6 | 156.7 | -96.2 | -36 | 0 | 0 | 0 | 109.6 | ||||
| 801 | N | 27.7 | Very low | 35.8 | Very low | 169 Ų | 169 | 110.6 Ų | 110.6 | 90% | 0.904 | 66% | 0.661 | S | S | * | * | trans | -109.7 | 114 | 164.8 | -108.2 | -14.7 | 0 | 0 | 0 | 107.3 | ||||
| 802 | P | 28.8 | Very low | 34.5 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | trans | -141.4 | 114.6 | 147.7 | 32.5 | -16 | 0 | 0 | 0 | 113.1 | ||||
| 803 | K | 27.3 | Very low | 33.6 | Very low | 171 Ų | 171 | 112.1 Ų | 112.1 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | 180 | 76.1 | 135 | -96.6 | 155.1 | -165.6 | 176.3 | 0 | 112.6 | D712 | D712-K803 IonicContact OD1-NZ 3.02Å; D712-K803 PolarHBondContact OD1-NZ 3.35Å | ||
| 804 | S | 30.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 112.5 Ų | 112.5 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | trans | -155.6 | 124.3 | 138.8 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 805 | S | 26.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -77.5 | 140.8 | -175.8 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 806 | T | 30.6 | Very low | 30 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | 175.6 | 138.6 | 118.4 | 35.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 807 | S | 28.1 | Very low | 29.4 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 0.7 | 143.9 | 150.4 | 52.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 808 | S | 31 | Very low | 29 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | cis | -165.9 | 158.1 | 19 | 43.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 809 | L | 26.9 | Very low | 28.8 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -60.3 | 179.3 | 165.9 | -92.9 | 81.1 | 0 | 0 | 0 | 114.5 | ||||
| 810 | P | 32.2 | Very low | 29 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -145.6 | 176.4 | -28.8 | 36.6 | -16.7 | 0 | 0 | 0 | 117.3 | ||||
| 811 | S | 25.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 54 | 124 | 139.8 | 66.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 812 | S | 26.6 | Very low | 29 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 157.5 | 162.2 | 94.1 | 59.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 813 | A | 30.7 | Very low | 29.1 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | trans | 79.5 | 92.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 814 | N | 27 | Very low | 29.4 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | 37 | 114.7 | 116.4 | -55.5 | -1.9 | 0 | 0 | 0 | 120.5 | |||||
| 815 | N | 28.9 | Very low | 29.8 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | 169.2 | 156.5 | 91.8 | -96.8 | -26.6 | 0 | 0 | 0 | 114 | |||||
| 816 | S | 28 | Very low | 31.1 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 47 | 104 | 157.8 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 817 | D | 33.9 | Very low | 32.3 | Very low | 166 Ų | 166 | 122.5 Ų | 122.5 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | -159.4 | 144 | 114.3 | -104.3 | -25.6 | 0 | 0 | 0 | 112.1 | |||||
| 818 | H | 28.3 | Very low | 33.7 | Very low | 177 Ų | 177 | 117.5 Ų | 117.5 | 82% | 0.819 | 69% | 0.685 | S | S | * | * | trans | -75.6 | 128.4 | 173.1 | -73.6 | -95.1 | 0 | 0 | 0 | 109.9 | ||||
| 819 | N | 30 | Very low | 35.1 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | trans | 177.4 | 131.8 | 137.7 | -90.7 | -38.2 | 0 | 0 | 0 | 113.3 | ||||
| 820 | H | 30.7 | Very low | 36.6 | Very low | 164 Ų | 164 | 108.9 Ų | 108.9 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | trans | 27.8 | 83.5 | 159.5 | -65.8 | -68.3 | 0 | 0 | 0 | 120 | N822 | H820-N822 PolarHBondContact O-N 3.42Š| ||
| 821 | V | 28.2 | Very low | 38.1 | Very low | 144 Ų | 144 | 105.7 Ų | 105.7 | 87% | 0.873 | 61% | 0.605 | S | S | * | * | trans | -84.4 | 99.7 | 155.2 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 822 | N | 29.4 | Very low | 39.8 | Very low | 123 Ų | 123 | 101 Ų | 101 | 66% | 0.658 | 57% | 0.572 | S | S | * | * | trans | -145.6 | 109.8 | 175.7 | -88.8 | -27.4 | 0 | 0 | 0 | 112.1 | H820 | H820-N822 PolarHBondContact O-N 3.42Š| ||
| 823 | N | 30.7 | Very low | 41.6 | Very low | 136 Ų | 136 | 95.8 Ų | 95.8 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | trans | 51.7 | 76.9 | 147.2 | -55.5 | -12.9 | 0 | 0 | 0 | 119.4 | S825 | N823-S825 PolarHBondContact O-N 2.99Å; N823-S825 PolarHBondContact O-OG 3.24Å | ||
| 824 | T | 34.5 | Very low | 43.1 | Very low | 145 Ų | 145 | 93.6 Ų | 93.6 | 89% | 0.89 | 52% | 0.521 | S | S | * | . | trans | -68 | 101.7 | 160.9 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 825 | S | 39.2 | Very low | 44.9 | Very low | 61 Ų | 61 | 89.3 Ų | 89.3 | 43% | 0.427 | 50% | 0.495 | S | S | . | . | trans | -118.9 | 113.5 | -167.2 | -45 | 0 | 0 | 0 | 0 | 110.7 | L789 N823 | L789-S825 VanDerWaalsContact CD1-CB 3.48Å; N823-S825 PolarHBondContact O-N 2.99Å; N823-S825 PolarHBondContact O-OG 3.24Å | ||
| 826 | I | 52 | Low | 46.6 | Very low | 91 Ų | 91 | 82.5 Ų | 82.5 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | trans | -85.8 | 128.3 | 179.2 | -62.9 | 174 | 0 | 0 | 0 | 109.1 | N830 | I826-N830 HydrophobicContact CG2-CB 4.33Š| ||
| 827 | S | 56.9 | Low | 48.3 | Very low | 44 Ų | 44 | 78.7 Ų | 78.7 | 31% | 0.308 | 43% | 0.43 | S | S | . | . | trans | -69.3 | 143.7 | 173.4 | 68.7 | 0 | 0 | 0 | 0 | 110.8 | L829 N830 Y831 | S827-L829 PolarHBondContact O-N 3.44Å; S827-N830 PolarHBondContact O-N 3.32Å; S827-N830 VanDerWaalsContact OG-CB 3.32Å; S827-N830 WeakPolarHBondContact OG-CB 3.48Å; S827-N830 PolarHBondContact OG-N 2.99Å; S827-N830 VanDerWaalsContact OG-N 3.16Å; S827-N830 PolarHBondContact OG-ND2 3.5Å; S827-Y831 PolarHBondContact O-N 3.47Å | ||
| 828 | V | 57.8 | Low | 49.6 | Very low | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.012 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.3 | -38.2 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 111 | I783 Y786 I790 N830 Y831 V832 | I783-V828 HydrophobicContact CG2-CG1 3.85Å; Y786-V828 HydrophobicContact CD1-CB 4.4Å; Y786-V828 HydrophobicContact CD1-CG2 3.34Å; Y786-V828 HydrophobicContact CE1-CG2 3.89Å; Y786-V828 HydrophobicContact CG-CG2 4.29Å; I790-V828 HydrophobicContact CD1-CB 4.02Å; I790-V828 HydrophobicContact CD1-CG1 4.05Å; I790-V828 HydrophobicContact CD1-CG2 3.48Å; I790-V828 VanDerWaalsContact CD1-CG2 3.48Å; I790-V828 HydrophobicContact CG1-CG2 3.55Å; V828-N830 PolarHBondContact O-N 2.88Å; V828-Y831 PolarHBondContact O-N 2.97Å; V828-V832 HydrophobicContact CG1-CG2 3.95Å; V828-V832 WeakPolarHBondContact O-CB 3.27Å; V828-V832 VanDerWaalsContact O-CG2 3.25Å; V828-V832 WeakPolarHBondContact O-CG2 3.37Å; V828-V832 PolarHBondContact O-N 3.47Å |
| 829 | L | 58.9 | Low | 51.3 | Low | 47 Ų | 47 | 68.4 Ų | 68.4 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 174 | -164.3 | 66.8 | 0 | 0 | 0 | 111.9 | C784 S827 I833 L942 | C784-L829 HydrophobicContact CB-CD1 4.06Å; S827-L829 PolarHBondContact O-N 3.44Å; L829-I833 HydrophobicContact CD1-CD1 3.76Å; L829-I833 HydrophobicContact CD1-CG1 4.45Å; L829-I833 HydrophobicContact CG-CD1 3.77Å; L829-I833 VanDerWaalsContact O-CB 3.24Å; L829-I833 WeakPolarHBondContact O-CB 3.49Å; L829-I833 WeakPolarHBondContact O-CG1 3.37Å; L829-I833 PolarHBondContact O-N 2.74Å; L829-L942 HydrophobicContact CD2-CD1 3.87Å; L829-L942 HydrophobicContact CD2-CD2 4.19Å; L829-L942 HydrophobicContact CD2-CG 4.11Å |
| 830 | N | 59.7 | Low | 52.8 | Low | 46 Ų | 46 | 62 Ų | 62 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 177.7 | -74.2 | -2.6 | 0 | 0 | 0 | 112.3 | I826 S827 V828 G834 D941 | I826-N830 HydrophobicContact CG2-CB 4.33Å; S827-N830 PolarHBondContact O-N 3.32Å; S827-N830 VanDerWaalsContact OG-CB 3.32Å; S827-N830 WeakPolarHBondContact OG-CB 3.48Å; S827-N830 PolarHBondContact OG-N 2.99Å; S827-N830 VanDerWaalsContact OG-N 3.16Å; S827-N830 PolarHBondContact OG-ND2 3.5Å; V828-N830 PolarHBondContact O-N 2.88Å; N830-G834 WeakPolarHBondContact O-CA 3.41Å; N830-G834 PolarHBondContact O-N 3.15Å; N830-D941 PolarHBondContact ND2-OD2 2.85Å |
| 831 | Y | 63 | Low | 54.5 | Low | 35 Ų | 35 | 56.9 Ų | 56.9 | 14% | 0.137 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -50.6 | 175.1 | 175.8 | -96.8 | 0 | 0 | 0 | 112.2 | I667 L795 P796 S827 V828 G834 K835 | I667-Y831 HydrophobicContact CD1-CD1 3.73Å; I667-Y831 HydrophobicContact CD1-CE1 3.68Å; I667-Y831 HydrophobicContact CG1-CD1 4.04Å; I667-Y831 HydrophobicContact CG1-CE1 3.49Å; I667-Y831 VanDerWaalsContact CG1-CE1 3.49Å; L795-Y831 HydrophobicContact CD2-CD1 4.49Å; L795-Y831 HydrophobicContact CD2-CD2 3.28Å; L795-Y831 HydrophobicContact CD2-CE2 3.34Å; L795-Y831 HydrophobicContact CD2-CG 3.89Å; P796-Y831 VanDerWaalsContact CD-OH 3.28Å; P796-Y831 WeakPolarHBondContact CD-OH 3.31Å; P796-Y831 WeakPolarHBondContact CG-OH 3.3Å; S827-Y831 PolarHBondContact O-N 3.47Å; V828-Y831 PolarHBondContact O-N 2.97Å; Y831-G834 PolarHBondContact O-N 3.32Å; Y831-K835 HydrophobicContact CE1-CG 4.03Å; Y831-K835 HydrophobicContact CE2-CG 3.99Å; Y831-K835 WeakPolarHBondContact O-CB 3.38Å; Y831-K835 PolarHBondContact O-N 2.81Å; Y831-K835 WeakPolarHBondContact OH-CE 3.3Å |
| 832 | V | 62 | Low | 56.3 | Low | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | -177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I783 V828 K835 L836 | I783-V832 HydrophobicContact CG2-CG2 3.6Å; V828-V832 HydrophobicContact CG1-CG2 3.95Å; V828-V832 WeakPolarHBondContact O-CB 3.27Å; V828-V832 VanDerWaalsContact O-CG2 3.25Å; V828-V832 WeakPolarHBondContact O-CG2 3.37Å; V828-V832 PolarHBondContact O-N 3.47Å; V832-K835 PolarHBondContact O-N 2.79Å; V832-L836 HydrophobicContact CG1-CD1 3.88Å; V832-L836 HydrophobicContact CG1-CG 4.47Å; V832-L836 WeakPolarHBondContact O-CB 3.41Å; V832-L836 VanDerWaalsContact O-CG 3.25Å; V832-L836 WeakPolarHBondContact O-CG 3.31Å; V832-L836 PolarHBondContact O-N 2.85Å |
| 833 | I | 64.5 | Low | 58.1 | Low | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 176 | -59.9 | 171.5 | 0 | 0 | 0 | 111 | L829 L836 I837 W860 I945 L949 | L829-I833 HydrophobicContact CD1-CD1 3.76Å; L829-I833 HydrophobicContact CD1-CG1 4.45Å; L829-I833 HydrophobicContact CG-CD1 3.77Å; L829-I833 VanDerWaalsContact O-CB 3.24Å; L829-I833 WeakPolarHBondContact O-CB 3.49Å; L829-I833 WeakPolarHBondContact O-CG1 3.37Å; L829-I833 PolarHBondContact O-N 2.74Å; I833-L836 PolarHBondContact O-N 3.34Å; I833-I837 HydrophobicContact CG2-CD1 3.49Å; I833-I837 VanDerWaalsContact CG2-CD1 3.49Å; I833-I837 HydrophobicContact CG2-CG1 4Å; I833-I837 VanDerWaalsContact O-CB 3.27Å; I833-I837 WeakPolarHBondContact O-CB 3.35Å; I833-I837 VanDerWaalsContact O-CG1 3.22Å; I833-I837 WeakPolarHBondContact O-CG1 3.47Å; I833-I837 PolarHBondContact O-N 2.83Å; I833-W860 HydrophobicContact CD1-CH2 4.29Å; I833-W860 HydrophobicContact CG1-CH2 4Å; I833-I945 HydrophobicContact CD1-CG2 4.4Å; I833-I945 HydrophobicContact CG2-CG2 3.43Å; I833-I945 VanDerWaalsContact CG2-CG2 3.43Å; I833-L949 HydrophobicContact CG2-CD1 4.47Å |
| 834 | G | 62 | Low | 59.9 | Low | 38 Ų | 38 | 49 Ų | 49 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N830 Y831 S838 | N830-G834 WeakPolarHBondContact O-CA 3.41Å; N830-G834 PolarHBondContact O-N 3.15Å; Y831-G834 PolarHBondContact O-N 3.32Å; G834-S838 WeakPolarHBondContact O-CB 3.49Å; G834-S838 PolarHBondContact O-N 3.08Å; G834-S838 PolarHBondContact O-OG 3.44Å |
| 835 | K | 63.9 | Low | 61.6 | Low | 52 Ų | 52 | 49.8 Ų | 49.8 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 172.8 | -91.1 | -80.7 | -171.4 | 162.3 | 0 | 111 | D671 Y831 V832 I837 S838 Q839 | D671-K835 IonicContact OD2-NZ 3.02Å; D671-K835 PolarHBondContact OD2-NZ 3.3Å; Y831-K835 HydrophobicContact CE1-CG 4.03Å; Y831-K835 HydrophobicContact CE2-CG 3.99Å; Y831-K835 WeakPolarHBondContact O-CB 3.38Å; Y831-K835 PolarHBondContact O-N 2.81Å; Y831-K835 WeakPolarHBondContact OH-CE 3.3Å; V832-K835 PolarHBondContact O-N 2.79Å; K835-I837 PolarHBondContact O-N 3.47Å; K835-S838 WeakPolarHBondContact CA-OG 3.4Å; K835-S838 PolarHBondContact O-N 2.9Å; K835-S838 VanDerWaalsContact O-N 3.16Å; K835-S838 PolarHBondContact O-OG 2.98Å; K835-Q839 HydrophobicContact CD-CG 4.44Å; K835-Q839 WeakPolarHBondContact O-CB 3.23Å; K835-Q839 VanDerWaalsContact O-CG 3.3Å; K835-Q839 WeakPolarHBondContact O-CG 3.46Å; K835-Q839 PolarHBondContact O-N 3.04Å |
| 836 | L | 64.5 | Low | 63.4 | Low | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -49.9 | 174.5 | -73.8 | 168 | 0 | 0 | 0 | 111.3 | L674 V832 I833 S838 Q839 L840 L856 | L674-L836 HydrophobicContact CD1-CD2 4.2Å; V832-L836 HydrophobicContact CG1-CD1 3.88Å; V832-L836 HydrophobicContact CG1-CG 4.47Å; V832-L836 WeakPolarHBondContact O-CB 3.41Å; V832-L836 VanDerWaalsContact O-CG 3.25Å; V832-L836 WeakPolarHBondContact O-CG 3.31Å; V832-L836 PolarHBondContact O-N 2.85Å; I833-L836 PolarHBondContact O-N 3.34Å; L836-S838 PolarHBondContact O-N 2.99Å; L836-Q839 PolarHBondContact O-N 3.43Å; L836-L840 HydrophobicContact CB-CD1 4.06Å; L836-L840 WeakPolarHBondContact O-CB 3.16Å; L836-L840 VanDerWaalsContact O-CD1 3.28Å; L836-L840 WeakPolarHBondContact O-CD1 3.29Å; L836-L840 WeakPolarHBondContact O-CG 3.46Å; L836-L840 PolarHBondContact O-N 2.92Å; L836-L856 HydrophobicContact CD2-CD2 4.18Å |
| 837 | I | 64 | Low | 64.6 | Low | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -25.3 | 179.4 | -71.2 | 174.2 | 0 | 0 | 0 | 113.1 | I833 K835 I945 L949 R952 | I833-I837 HydrophobicContact CG2-CD1 3.49Å; I833-I837 VanDerWaalsContact CG2-CD1 3.49Å; I833-I837 HydrophobicContact CG2-CG1 4Å; I833-I837 VanDerWaalsContact O-CB 3.27Å; I833-I837 WeakPolarHBondContact O-CB 3.35Å; I833-I837 VanDerWaalsContact O-CG1 3.22Å; I833-I837 WeakPolarHBondContact O-CG1 3.47Å; I833-I837 PolarHBondContact O-N 2.83Å; K835-I837 PolarHBondContact O-N 3.47Å; I837-I945 HydrophobicContact CD1-CG2 4.06Å; I837-L949 HydrophobicContact CD1-CD1 3.91Å; I837-L949 HydrophobicContact CD1-CD2 4.27Å; I837-L949 HydrophobicContact CD1-CG 3.77Å; I837-L949 HydrophobicContact CG1-CD1 4.26Å; I837-L949 HydrophobicContact CG1-CD2 3.88Å; I837-L949 HydrophobicContact CG1-CG 3.96Å; I837-R952 PolarHBondContact O-NH1 3.22Å |
| 838 | S | 62.1 | Low | 65.5 | Low | 75 Ų | 75 | 42.5 Ų | 42.5 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -87.8 | -27.9 | 175.5 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | G834 K835 L836 | G834-S838 WeakPolarHBondContact O-CB 3.49Å; G834-S838 PolarHBondContact O-N 3.08Å; G834-S838 PolarHBondContact O-OG 3.44Å; K835-S838 WeakPolarHBondContact CA-OG 3.4Å; K835-S838 PolarHBondContact O-N 2.9Å; K835-S838 VanDerWaalsContact O-N 3.16Å; K835-S838 PolarHBondContact O-OG 2.98Å; L836-S838 PolarHBondContact O-N 2.99Å |
| 839 | Q | 63 | Low | 66.5 | Low | 52 Ų | 52 | 43.4 Ų | 43.4 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -104.1 | -12.3 | -177 | -59.7 | -61.4 | -53 | 0 | 0 | 114 | L674 K835 L836 H841 | L674-Q839 HydrophobicContact CD1-CB 4.44Å; K835-Q839 HydrophobicContact CD-CG 4.44Å; K835-Q839 WeakPolarHBondContact O-CB 3.23Å; K835-Q839 VanDerWaalsContact O-CG 3.3Å; K835-Q839 WeakPolarHBondContact O-CG 3.46Å; K835-Q839 PolarHBondContact O-N 3.04Å; L836-Q839 PolarHBondContact O-N 3.43Å; Q839-H841 PolarHBondContact O-CD2 3.04Å; Q839-H841 PolarHBondContact O-N 3.28Å |
| 840 | L | 62.4 | Low | 67.5 | Low | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -71.5 | 95.2 | 167 | -71.9 | 162.6 | 0 | 0 | 0 | 107.5 | M678 L836 L842 L856 L857 | M678-L840 HydrophobicContact CE-CD2 4.44Å; L836-L840 HydrophobicContact CB-CD1 4.06Å; L836-L840 WeakPolarHBondContact O-CB 3.16Å; L836-L840 VanDerWaalsContact O-CD1 3.28Å; L836-L840 WeakPolarHBondContact O-CD1 3.29Å; L836-L840 WeakPolarHBondContact O-CG 3.46Å; L836-L840 PolarHBondContact O-N 2.92Å; L840-L842 HydrophobicContact CB-CD1 4.27Å; L840-L842 HydrophobicContact CB-CG 4.18Å; L840-L842 PolarHBondContact O-N 3Å; L840-L856 HydrophobicContact CD2-CD2 4.34Å; L840-L857 HydrophobicContact CD1-CD1 4.22Å; L840-L857 HydrophobicContact CD1-CD2 3.88Å; L840-L857 HydrophobicContact CD1-CG 4.21Å |
| 841 | H | 65.7 | Low | 68.5 | Low | 57 Ų | 57 | 39.4 Ų | 39.4 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | trans | -65.1 | 43.6 | -178.7 | -76.3 | -94.3 | 0 | 0 | 0 | 113.8 | M678 Q839 K843 D844 Q849 | M678-H841 HydrophobicContact SD-CB 4.45Å; Q839-H841 PolarHBondContact O-CD2 3.04Å; Q839-H841 PolarHBondContact O-N 3.28Å; H841-K843 PolarHBondContact O-N 3.35Å; H841-K843 VanDerWaalsContact O-N 3.09Å; H841-D844 HydrophobicContact CB-CB 4.15Å; H841-D844 IonicContact CE1-OD2 2.76Å; H841-D844 IonicContact CG-OD2 3.82Å; H841-D844 VanDerWaalsContact ND1-CG 3.32Å; H841-D844 IonicContact ND1-OD1 3.44Å; H841-D844 IonicContact ND1-OD2 3.88Å; H841-D844 PolarHBondContact ND1-OD2 3.41Å; H841-D844 PolarHBondContact O-N 3.46Å; H841-D844 VanDerWaalsContact O-N 3.1Å; H841-Q849 HydrophobicContact CB-CB 4.2Å | ||
| 842 | L | 66.7 | Low | 69.3 | Low | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.2 | -179.1 | -67.7 | 170.3 | 0 | 0 | 0 | 113.4 | L840 R850 L953 C956 | L840-L842 HydrophobicContact CB-CD1 4.27Å; L840-L842 HydrophobicContact CB-CG 4.18Å; L840-L842 PolarHBondContact O-N 3Å; L842-R850 PolarHBondContact O-NE 3.13Å; L842-R850 PolarHBondContact O-NH1 3.42Å; L842-R850 PolarHBondContact O-NH2 3.45Å; L842-L953 HydrophobicContact CD1-CD2 4.02Å; L842-L953 HydrophobicContact CD2-CD2 4.12Å; L842-C956 PolarHBondContact O-SG 2.88Å |
| 843 | K | 67.2 | Low | 70 | Confident | 169 Ų | 169 | 37.9 Ų | 37.9 | 74% | 0.735 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -12.5 | 176.4 | -73.2 | -167.8 | 172.7 | -171.1 | 0 | 114.5 | H841 R850 | H841-K843 PolarHBondContact O-N 3.35Å; H841-K843 VanDerWaalsContact O-N 3.09Å; K843-R850 PolarHBondContact O-NH2 2.85Å |
| 844 | D | 68.5 | Low | 70.6 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -73.3 | 164.8 | -171.7 | -75.4 | 22.8 | 0 | 0 | 0 | 112.3 | H841 L846 Q849 R850 | H841-D844 HydrophobicContact CB-CB 4.15Å; H841-D844 IonicContact CE1-OD2 2.76Å; H841-D844 IonicContact CG-OD2 3.82Å; H841-D844 VanDerWaalsContact ND1-CG 3.32Å; H841-D844 IonicContact ND1-OD1 3.44Å; H841-D844 IonicContact ND1-OD2 3.88Å; H841-D844 PolarHBondContact ND1-OD2 3.41Å; H841-D844 PolarHBondContact O-N 3.46Å; H841-D844 VanDerWaalsContact O-N 3.1Å; D844-L846 VanDerWaalsContact C-N 3.32Å; D844-Q849 VanDerWaalsContact CB-OE1 3.32Å; D844-Q849 PolarHBondContact OD2-OE1 2.88Å; D844-R850 PolarHBondContact O-NE 2.91Å; D844-R850 PolarHBondContact O-NH2 3.18Å; D844-R850 VanDerWaalsContact O-NH2 3.15Å |
| 845 | R | 70.4 | Confident | 71.4 | Confident | 162 Ų | 162 | 36 Ų | 36 | 61% | 0.611 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -87.4 | 2.2 | -177.2 | -64.9 | 179.7 | 174.7 | 178.8 | -1.1 | 114 | Y963 E964 | R845-Y963 VanDerWaalsContact O-CA 3.31Å; R845-Y963 WeakPolarHBondContact O-CA 3.45Å; R845-E964 HydrophobicContact CB-CG 3.87Å; R845-E964 VanDerWaalsContact CD-OE1 3.32Å; R845-E964 WeakPolarHBondContact CD-OE1 3.43Å; R845-E964 PolarHBondContact O-N 3.31Å |
| 846 | L | 76.8 | Confident | 72.1 | Confident | 32 Ų | 32 | 33.8 Ų | 33.8 | 17% | 0.168 | 16% | 0.161 | C | C | . | . | trans | -93.2 | 116.9 | 178.1 | -70.3 | 163.7 | 0 | 0 | 0 | 110 | P680 D844 M848 Q849 R850 E964 E965 | P680-L846 HydrophobicContact CG-CD1 4.1Å; P680-L846 HydrophobicContact CG-CD2 4.06Å; D844-L846 VanDerWaalsContact C-N 3.32Å; L846-M848 VanDerWaalsContact C-N 3.31Å; L846-M848 PolarHBondContact O-N 3.22Å; L846-Q849 HydrophobicContact CB-CB 4.22Å; L846-Q849 HydrophobicContact CB-CG 3.8Å; L846-Q849 HydrophobicContact CD1-CG 4.21Å; L846-Q849 PolarHBondContact O-N 3.37Å; L846-R850 PolarHBondContact O-N 2.85Å; L846-E964 HydrophobicContact CD2-CB 4.19Å; L846-E965 WeakPolarHBondContact CA-OE2 3.24Å; L846-E965 HydrophobicContact CD2-CG 4.37Å | ||
| 847 | A | 77 | Confident | 72.7 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q849 R850 F851 Y963 E965 L1061 V1065 | A847-Q849 VanDerWaalsContact C-N 3.29Å; A847-Q849 PolarHBondContact O-N 3.04Å; A847-R850 PolarHBondContact O-N 3.45Å; A847-F851 WeakPolarHBondContact O-CB 3.39Å; A847-F851 PolarHBondContact O-N 3Å; A847-Y963 HydrophobicContact CB-CD1 3.53Å; A847-Y963 HydrophobicContact CB-CD2 4.21Å; A847-Y963 HydrophobicContact CB-CE1 3.84Å; A847-Y963 HydrophobicContact CB-CE2 4.49Å; A847-Y963 HydrophobicContact CB-CG 3.73Å; A847-E965 VanDerWaalsContact N-CD 3.31Å; A847-E965 PolarHBondContact N-OE1 3.17Å; A847-E965 PolarHBondContact N-OE2 3.02Å; A847-L1061 HydrophobicContact CB-CB 4.02Å; A847-L1061 HydrophobicContact CB-CD2 3.95Å; A847-L1061 HydrophobicContact CB-CG 4.39Å; A847-V1065 HydrophobicContact CB-CG2 3.85Å; A847-V1065 VanDerWaalsContact O-CG2 3.26Å; A847-V1065 WeakPolarHBondContact O-CG2 3.49Å |
| 848 | M | 75.8 | Confident | 73.1 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 4% | 0.044 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | -177.4 | -70.6 | -62.2 | -66.6 | 0 | 0 | 112.7 | L846 F851 I852 E965 | L846-M848 VanDerWaalsContact C-N 3.31Å; L846-M848 PolarHBondContact O-N 3.22Å; M848-F851 HydrophobicContact CE-CD1 4.48Å; M848-F851 PolarHBondContact O-N 3.02Å; M848-F851 HydrophobicContact SD-CD1 4.45Å; M848-I852 WeakPolarHBondContact O-CB 3.41Å; M848-I852 WeakPolarHBondContact O-CD1 3.49Å; M848-I852 WeakPolarHBondContact O-CG1 3.17Å; M848-I852 PolarHBondContact O-N 3.31Å; M848-E965 PolarHBondContact N-OE1 3.46Å |
| 849 | Q | 78.2 | Confident | 73.5 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 177.9 | -66.1 | -174.6 | -31.2 | 0 | 0 | 112.2 | M678 H841 D844 L846 A847 S853 | M678-Q849 HydrophobicContact CB-CG 4.12Å; M678-Q849 VanDerWaalsContact O-CG 3.32Å; M678-Q849 WeakPolarHBondContact O-CG 3.28Å; H841-Q849 HydrophobicContact CB-CB 4.2Å; D844-Q849 VanDerWaalsContact CB-OE1 3.32Å; D844-Q849 PolarHBondContact OD2-OE1 2.88Å; L846-Q849 HydrophobicContact CB-CB 4.22Å; L846-Q849 HydrophobicContact CB-CG 3.8Å; L846-Q849 HydrophobicContact CD1-CG 4.21Å; L846-Q849 PolarHBondContact O-N 3.37Å; A847-Q849 VanDerWaalsContact C-N 3.29Å; A847-Q849 PolarHBondContact O-N 3.04Å; Q849-S853 WeakPolarHBondContact O-CB 3.41Å; Q849-S853 PolarHBondContact O-N 2.96Å; Q849-S853 PolarHBondContact O-OG 2.66Å |
| 850 | R | 80.6 | Confident | 73.8 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 175.8 | -64.7 | -172.7 | 177.2 | -137.5 | -5.6 | 111.6 | L842 K843 D844 L846 A847 S853 G854 E959 V1065 | L842-R850 PolarHBondContact O-NE 3.13Å; L842-R850 PolarHBondContact O-NH1 3.42Å; L842-R850 PolarHBondContact O-NH2 3.45Å; K843-R850 PolarHBondContact O-NH2 2.85Å; D844-R850 PolarHBondContact O-NE 2.91Å; D844-R850 PolarHBondContact O-NH2 3.18Å; D844-R850 VanDerWaalsContact O-NH2 3.15Å; L846-R850 PolarHBondContact O-N 2.85Å; A847-R850 PolarHBondContact O-N 3.45Å; R850-S853 WeakPolarHBondContact O-CB 3.47Å; R850-S853 PolarHBondContact O-N 3.1Å; R850-G854 PolarHBondContact O-N 3.21Å; R850-E959 IonicContact NH1-OE2 3.27Å; R850-E959 PolarHBondContact NH1-OE2 2.71Å; R850-E959 IonicContact NH2-OE2 2.7Å; R850-V1065 HydrophobicContact CB-CG1 3.72Å; R850-V1065 HydrophobicContact CB-CG2 4.04Å |
| 851 | F | 79.9 | Confident | 73.9 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 177.6 | 172.4 | -123.5 | 0 | 0 | 0 | 112.3 | L766 A847 M848 G854 L855 R1064 L1067 L1164 | L766-F851 HydrophobicContact CD1-CE1 3.7Å; L766-F851 HydrophobicContact CD1-CZ 4.32Å; A847-F851 WeakPolarHBondContact O-CB 3.39Å; A847-F851 PolarHBondContact O-N 3Å; M848-F851 HydrophobicContact CE-CD1 4.48Å; M848-F851 PolarHBondContact O-N 3.02Å; M848-F851 HydrophobicContact SD-CD1 4.45Å; F851-G854 PolarHBondContact O-N 3.33Å; F851-L855 HydrophobicContact CD1-CD1 4.3Å; F851-L855 HydrophobicContact CD2-CD1 4.43Å; F851-L855 HydrophobicContact CD2-CG 4.23Å; F851-L855 HydrophobicContact CE1-CD1 3.67Å; F851-L855 HydrophobicContact CE1-CG 4.47Å; F851-L855 HydrophobicContact CE2-CD1 3.86Å; F851-L855 HydrophobicContact CE2-CD2 4.06Å; F851-L855 HydrophobicContact CE2-CG 3.85Å; F851-L855 HydrophobicContact CZ-CD1 3.46Å; F851-L855 VanDerWaalsContact CZ-CD1 3.46Å; F851-L855 HydrophobicContact CZ-CD2 4.33Å; F851-L855 HydrophobicContact CZ-CG 4Å; F851-L855 PolarHBondContact O-N 2.86Å; F851-R1064 HydrophobicContact CD2-CB 4.43Å; F851-R1064 WeakPolarHBondContact CD2-O 3.01Å; F851-L1067 HydrophobicContact CE2-CD2 4.37Å; F851-L1164 HydrophobicContact CE2-CD2 4.5Å; F851-L1164 HydrophobicContact CZ-CD2 3.85Å |
| 852 | I | 79.6 | Confident | 73.5 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 178.7 | -69.9 | 161.7 | 0 | 0 | 0 | 111.3 | V677 M678 R769 V773 M848 G854 L855 L856 | V677-I852 HydrophobicContact CG1-CD1 4.25Å; V677-I852 HydrophobicContact CG1-CG2 3.72Å; V677-I852 VanDerWaalsContact O-CD1 3.26Å; V677-I852 WeakPolarHBondContact O-CD1 3.33Å; M678-I852 HydrophobicContact CG-CG2 4.12Å; R769-I852 HydrophobicContact CG-CD1 4.45Å; V773-I852 HydrophobicContact CG2-CG2 3.91Å; M848-I852 WeakPolarHBondContact O-CB 3.41Å; M848-I852 WeakPolarHBondContact O-CD1 3.49Å; M848-I852 WeakPolarHBondContact O-CG1 3.17Å; M848-I852 PolarHBondContact O-N 3.31Å; I852-G854 VanDerWaalsContact C-N 3.32Å; I852-G854 PolarHBondContact O-N 3.44Å; I852-L855 PolarHBondContact O-N 3.27Å; I852-L856 WeakPolarHBondContact O-CB 3.49Å; I852-L856 PolarHBondContact O-N 3.29Å |
| 853 | S | 78.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 174 | -63 | 0 | 0 | 0 | 0 | 111.6 | M678 Q849 R850 L857 | M678-S853 WeakPolarHBondContact CE-OG 3.35Å; Q849-S853 WeakPolarHBondContact O-CB 3.41Å; Q849-S853 PolarHBondContact O-N 2.96Å; Q849-S853 PolarHBondContact O-OG 2.66Å; R850-S853 WeakPolarHBondContact O-CB 3.47Å; R850-S853 PolarHBondContact O-N 3.1Å; S853-L857 WeakPolarHBondContact O-CG 3.14Å; S853-L857 PolarHBondContact O-N 3.09Å |
| 854 | G | 77 | Confident | 72.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | R850 F851 I852 L856 L857 S858 G1068 | R850-G854 PolarHBondContact O-N 3.21Å; F851-G854 PolarHBondContact O-N 3.33Å; I852-G854 VanDerWaalsContact C-N 3.32Å; I852-G854 PolarHBondContact O-N 3.44Å; G854-L856 PolarHBondContact O-N 3.45Å; G854-L857 PolarHBondContact O-N 3.06Å; G854-S858 PolarHBondContact O-N 2.87Å; G854-G1068 CarbonylContact C-O 3.56Å; G854-G1068 VanDerWaalsContact CA-O 3.27Å; G854-G1068 WeakPolarHBondContact CA-O 3.3Å |
| 855 | L | 78.8 | Confident | 71.2 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 177.4 | -72.5 | -176.2 | 0 | 0 | 0 | 112.6 | I770 V773 F851 I852 L857 S858 C859 L1167 | I770-L855 HydrophobicContact CG1-CD1 4.35Å; V773-L855 HydrophobicContact CG1-CB 3.97Å; F851-L855 HydrophobicContact CD1-CD1 4.3Å; F851-L855 HydrophobicContact CD2-CD1 4.43Å; F851-L855 HydrophobicContact CD2-CG 4.23Å; F851-L855 HydrophobicContact CE1-CD1 3.67Å; F851-L855 HydrophobicContact CE1-CG 4.47Å; F851-L855 HydrophobicContact CE2-CD1 3.86Å; F851-L855 HydrophobicContact CE2-CD2 4.06Å; F851-L855 HydrophobicContact CE2-CG 3.85Å; F851-L855 HydrophobicContact CZ-CD1 3.46Å; F851-L855 VanDerWaalsContact CZ-CD1 3.46Å; F851-L855 HydrophobicContact CZ-CD2 4.33Å; F851-L855 HydrophobicContact CZ-CG 4Å; F851-L855 PolarHBondContact O-N 2.86Å; I852-L855 PolarHBondContact O-N 3.27Å; L855-L857 PolarHBondContact O-N 2.99Å; L855-S858 WeakPolarHBondContact CA-OG 3.38Å; L855-S858 WeakPolarHBondContact O-CB 3.45Å; L855-S858 PolarHBondContact O-N 3.37Å; L855-S858 VanDerWaalsContact O-N 3.1Å; L855-S858 PolarHBondContact O-OG 3.3Å; L855-C859 PolarHBondContact O-N 3.32Å; L855-L1167 HydrophobicContact CD2-CD2 3.48Å; L855-L1167 VanDerWaalsContact CD2-CD2 3.48Å |
| 856 | L | 78.5 | Confident | 69.5 | Low | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 179.1 | -178.9 | 64.9 | 0 | 0 | 0 | 111.6 | L674 V773 L776 A777 L836 L840 I852 G854 S858 C859 W860 | L674-L856 HydrophobicContact CD2-CD2 3.47Å; L674-L856 VanDerWaalsContact CD2-CD2 3.47Å; V773-L856 HydrophobicContact CG1-CB 4.14Å; V773-L856 HydrophobicContact CG1-CD1 4.33Å; L776-L856 HydrophobicContact CB-CD1 3.59Å; A777-L856 HydrophobicContact CB-CD1 4.36Å; L836-L856 HydrophobicContact CD2-CD2 4.18Å; L840-L856 HydrophobicContact CD2-CD2 4.34Å; I852-L856 WeakPolarHBondContact O-CB 3.49Å; I852-L856 PolarHBondContact O-N 3.29Å; G854-L856 PolarHBondContact O-N 3.45Å; L856-S858 VanDerWaalsContact C-N 3.3Å; L856-S858 PolarHBondContact O-N 3.45Å; L856-C859 PolarHBondContact O-N 2.95Å; L856-W860 VanDerWaalsContact O-CB 3.26Å; L856-W860 WeakPolarHBondContact O-CB 3.33Å; L856-W860 PolarHBondContact O-N 3.43Å |
| 857 | L | 75.8 | Confident | 67.3 | Low | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 174.2 | -67.6 | 174.5 | 0 | 0 | 0 | 112 | L840 S853 G854 L855 W860 S861 L953 A1072 M1076 | L840-L857 HydrophobicContact CD1-CD1 4.22Å; L840-L857 HydrophobicContact CD1-CD2 3.88Å; L840-L857 HydrophobicContact CD1-CG 4.21Å; S853-L857 WeakPolarHBondContact O-CG 3.14Å; S853-L857 PolarHBondContact O-N 3.09Å; G854-L857 PolarHBondContact O-N 3.06Å; L855-L857 PolarHBondContact O-N 2.99Å; L857-W860 HydrophobicContact CD2-CE3 4.22Å; L857-W860 HydrophobicContact CD2-CZ3 4.5Å; L857-S861 WeakPolarHBondContact O-CB 3.41Å; L857-S861 PolarHBondContact O-N 3.45Å; L857-S861 VanDerWaalsContact O-N 3.15Å; L857-S861 PolarHBondContact O-OG 2.99Å; L857-L953 HydrophobicContact CD1-CD1 4.24Å; L857-L953 HydrophobicContact CD1-CD2 3.98Å; L857-A1072 HydrophobicContact CB-CB 3.78Å; L857-M1076 HydrophobicContact CB-CE 3.86Å; L857-M1076 HydrophobicContact CD2-CE 4Å; L857-M1076 HydrophobicContact CG-CE 4.42Å |
| 858 | S | 73 | Confident | 65 | Low | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 177.3 | 83.9 | 0 | 0 | 0 | 0 | 113.6 | G854 L855 L856 S861 L862 C1071 N1075 | G854-S858 PolarHBondContact O-N 2.87Å; L855-S858 WeakPolarHBondContact CA-OG 3.38Å; L855-S858 WeakPolarHBondContact O-CB 3.45Å; L855-S858 PolarHBondContact O-N 3.37Å; L855-S858 VanDerWaalsContact O-N 3.1Å; L855-S858 PolarHBondContact O-OG 3.3Å; L856-S858 VanDerWaalsContact C-N 3.3Å; L856-S858 PolarHBondContact O-N 3.45Å; S858-S861 PolarHBondContact O-OG 3.41Å; S858-L862 WeakPolarHBondContact O-CG 3.43Å; S858-C1071 WeakPolarHBondContact CB-O 3.4Å; S858-N1075 PolarHBondContact O-ND2 3.23Å |
| 859 | C | 70.2 | Confident | 62.7 | Low | 27 Ų | 27 | 38.9 Ų | 38.9 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78.2 | -36.8 | 178 | -69 | 0 | 0 | 0 | 0 | 111.4 | A777 L855 L856 S861 L862 | A777-C859 HydrophobicContact CB-CB 3.38Å; L855-C859 PolarHBondContact O-N 3.32Å; L856-C859 PolarHBondContact O-N 2.95Å; C859-S861 VanDerWaalsContact C-N 3.33Å; C859-S861 PolarHBondContact O-N 3.14Å; C859-L862 PolarHBondContact O-N 3.14Å |
| 860 | W | 69.6 | Low | 60.3 | Low | 50 Ų | 50 | 43.8 Ų | 43.8 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.8 | -177.5 | 46.7 | 0 | 0 | 0 | 112 | A777 C780 I833 L856 L857 L862 L863 | A777-W860 HydrophobicContact CB-CB 4.35Å; C780-W860 HydrophobicContact CB-CG 4.27Å; C780-W860 PolarHBondContact O-NE1 3.3Å; I833-W860 HydrophobicContact CD1-CH2 4.29Å; I833-W860 HydrophobicContact CG1-CH2 4Å; L856-W860 VanDerWaalsContact O-CB 3.26Å; L856-W860 WeakPolarHBondContact O-CB 3.33Å; L856-W860 PolarHBondContact O-N 3.43Å; L857-W860 HydrophobicContact CD2-CE3 4.22Å; L857-W860 HydrophobicContact CD2-CZ3 4.5Å; W860-L862 VanDerWaalsContact C-N 3.33Å; W860-L862 PolarHBondContact O-N 3.19Å; W860-L863 PolarHBondContact O-N 3.26Å |
| 861 | S | 64.8 | Low | 57.9 | Low | 32 Ų | 32 | 49.9 Ų | 49.9 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.8 | 177.7 | 50.2 | 0 | 0 | 0 | 0 | 115.5 | L857 S858 C859 L863 N1075 | L857-S861 WeakPolarHBondContact O-CB 3.41Å; L857-S861 PolarHBondContact O-N 3.45Å; L857-S861 VanDerWaalsContact O-N 3.15Å; L857-S861 PolarHBondContact O-OG 2.99Å; S858-S861 PolarHBondContact O-OG 3.41Å; C859-S861 VanDerWaalsContact C-N 3.33Å; C859-S861 PolarHBondContact O-N 3.14Å; S861-L863 VanDerWaalsContact C-N 3.29Å; S861-N1075 WeakPolarHBondContact OG-CB 3.45Å |
| 862 | L | 57.8 | Low | 55.3 | Low | 105 Ų | 105 | 53.4 Ų | 53.4 | 55% | 0.55 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7 | 173 | -77.5 | 168 | 0 | 0 | 0 | 113.5 | S858 C859 W860 N1075 | S858-L862 WeakPolarHBondContact O-CG 3.43Å; C859-L862 PolarHBondContact O-N 3.14Å; W860-L862 VanDerWaalsContact C-N 3.33Å; W860-L862 PolarHBondContact O-N 3.19Å; L862-N1075 WeakPolarHBondContact CD1-ND2 3.32Å; L862-N1075 HydrophobicContact CD2-CB 4.25Å; L862-N1075 HydrophobicContact CG-CB 4.09Å; L862-N1075 WeakPolarHBondContact CG-ND2 3.45Å |
| 863 | L | 57.7 | Low | 52.8 | Low | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -98.4 | 132.6 | -171.7 | -65.8 | 163.6 | 0 | 0 | 0 | 111.3 | A777 Y778 S781 W860 S861 | A777-L863 HydrophobicContact CB-CD1 4.12Å; A777-L863 WeakPolarHBondContact O-CD1 3.42Å; Y778-L863 HydrophobicContact CD1-CD1 4.36Å; Y778-L863 HydrophobicContact CD1-CD2 3.62Å; Y778-L863 HydrophobicContact CD2-CD2 4.41Å; Y778-L863 HydrophobicContact CE1-CD2 3.28Å; Y778-L863 HydrophobicContact CE2-CD2 4.14Å; Y778-L863 HydrophobicContact CG-CD1 4.29Å; Y778-L863 HydrophobicContact CG-CD2 4.17Å; S781-L863 WeakPolarHBondContact OG-CB 3.42Å; W860-L863 PolarHBondContact O-N 3.26Å; S861-L863 VanDerWaalsContact C-N 3.29Å |
| 864 | P | 50.1 | Low | 50.4 | Low | 33 Ų | 33 | 62.2 Ų | 62.2 | 21% | 0.214 | 41% | 0.407 | C | S | . | . | trans | -66.5 | 139 | -178.8 | 26.4 | -34.4 | 0 | 0 | 0 | 112 | I866 V898 I901 | P864-I866 PolarHBondContact O-N 3.19Å; P864-V898 HydrophobicContact CG-CG2 4.13Å; P864-I901 HydrophobicContact CB-CD1 3.44Å; P864-I901 VanDerWaalsContact CB-CD1 3.44Å | ||
| 865 | P | 46.4 | Very low | 48.1 | Very low | 83 Ų | 83 | 70.2 Ų | 70.2 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | trans | -66.9 | 103.6 | 160.1 | 28.3 | -32.8 | 0 | 0 | 0 | 108.6 | S867 I901 | P865-S867 VanDerWaalsContact C-N 3.33Å; P865-S867 PolarHBondContact O-N 3.34Å; P865-I901 HydrophobicContact CG-CD1 4.47Å; P865-I901 HydrophobicContact CG-CG2 4.31Å; P865-I901 VanDerWaalsContact O-CD1 3.26Å; P865-I901 WeakPolarHBondContact O-CD1 3.29Å | ||
| 866 | I | 34.6 | Very low | 45.5 | Very low | 73 Ų | 73 | 74.2 Ų | 74.2 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | trans | -70.5 | 90.2 | 178.8 | -53.1 | 177 | 0 | 0 | 0 | 108.6 | P864 | P864-I866 PolarHBondContact O-N 3.19Š| ||
| 867 | S | 30.7 | Very low | 43 | Very low | 83 Ų | 83 | 80.9 Ų | 80.9 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | trans | -110.7 | 88.6 | -177.4 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | P865 | P865-S867 VanDerWaalsContact C-N 3.33Å; P865-S867 PolarHBondContact O-N 3.34Å | ||
| 868 | C | 28.1 | Very low | 40.7 | Very low | 110 Ų | 110 | 88.2 Ų | 88.2 | 74% | 0.743 | 55% | 0.553 | S | S | * | * | trans | -117.9 | 94.6 | 164.1 | -68.7 | 0 | 0 | 0 | 0 | 109 | P870 | C868-P870 WeakPolarHBondContact O-CD 3.45Š| ||
| 869 | L | 27.7 | Very low | 38.4 | Very low | 141 Ų | 141 | 94.6 Ų | 94.6 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | trans | -80.6 | 120.8 | 169.8 | -92.8 | 153.1 | 0 | 0 | 0 | 109.3 | T871 | L869-T871 PolarHBondContact O-N 3.08Š| ||
| 870 | P | 28 | Very low | 36.3 | Very low | 125 Ų | 125 | 100.4 Ų | 100.4 | 81% | 0.812 | 62% | 0.616 | S | S | * | * | trans | -78.3 | 101.5 | 169.2 | 30.8 | -31 | 0 | 0 | 0 | 109.4 | C868 | C868-P870 WeakPolarHBondContact O-CD 3.45Š| ||
| 871 | T | 29.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 103.4 Ų | 103.4 | 82% | 0.816 | 65% | 0.645 | S | S | * | * | trans | -95.9 | 99.9 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | L869 | L869-T871 PolarHBondContact O-N 3.08Š| ||
| 872 | G | 26.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 110.4 Ų | 110.4 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -147 | 106.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 873 | S | 27.2 | Very low | 30.7 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | trans | -150.3 | 124.4 | 178.2 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 874 | G | 27.1 | Very low | 29.2 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | trans | 87.3 | 133 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 875 | D | 27.9 | Very low | 28.1 | Very low | 168 Ų | 168 | 120.5 Ų | 120.5 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | cis | -145.3 | 172.9 | 7.4 | -81.9 | -41.7 | 0 | 0 | 0 | 112.8 | ||||
| 876 | S | 25.5 | Very low | 27.2 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -35.2 | 149.4 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 877 | N | 25 | Very low | 26.9 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 56.6 | 114.6 | 154.4 | -53.9 | -13.2 | 0 | 0 | 0 | 116 | ||||
| 878 | D | 28.5 | Very low | 26.7 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | -167 | 172.7 | 78.1 | -109.1 | -34 | 0 | 0 | 0 | 113.8 | |||||
| 879 | N | 25.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -87 | 150.1 | -168 | -66.5 | -79.2 | 0 | 0 | 0 | 115.9 | ||||
| 880 | N | 24.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 73.1 | 136.3 | 149.1 | -67.2 | -30.4 | 0 | 0 | 0 | 121.6 | ||||
| 881 | S | 24.7 | Very low | 26.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 92.5 | 148.8 | 154.5 | 82.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 882 | M | 25.2 | Very low | 26.4 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 81.1 | 82.1 | 172.7 | -58.1 | -146.1 | 156.2 | 0 | 0 | 119.5 | ||||
| 883 | N | 25 | Very low | 26.4 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -55.1 | 139 | 147.8 | -68.1 | -40.3 | 0 | 0 | 0 | 111.4 | ||||
| 884 | S | 26.4 | Very low | 26.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 178.2 | -17.8 | 143.3 | 41 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 885 | S | 25.9 | Very low | 26.3 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -98.3 | -5 | -158.5 | -47.2 | 0 | 0 | 0 | 0 | 119.1 | R887 | S885-R887 PolarHBondContact O-N 2.93Š| ||
| 886 | N | 28.4 | Very low | 26.5 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 23.3 | -169.1 | -76.7 | 0.1 | 0 | 0 | 0 | 116.5 | ||
| 887 | R | 27.6 | Very low | 26.6 | Very low | 242 Ų | 242 | 135.4 Ų | 135.4 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 4.3 | -177.7 | -79.8 | -172.4 | 173.8 | -170.4 | -4.7 | 116.3 | S885 | S885-R887 PolarHBondContact O-N 2.93Š|
| 888 | L | 26.4 | Very low | 26.9 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -102.8 | 1.2 | -172.5 | -84.8 | 163.9 | 0 | 0 | 0 | 116.3 | ||
| 889 | F | 27.9 | Very low | 27 | Very low | 191 Ų | 191 | 126.2 Ų | 126.2 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -104.5 | -12.1 | -175.3 | -95.8 | -85.7 | 0 | 0 | 0 | 116 | ||
| 890 | N | 27.6 | Very low | 27.2 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 15.2 | -175.7 | -72.9 | 12.8 | 0 | 0 | 0 | 114.5 | ||
| 891 | S | 28 | Very low | 27.6 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | 21.2 | -175.3 | 75.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 892 | M | 24 | Very low | 28 | Very low | 150 Ų | 150 | 118.1 Ų | 118.1 | 74% | 0.739 | 61% | 0.611 | S | S | * | * | trans | -116.2 | 123 | 178 | -75.7 | -157.2 | 171.9 | 0 | 0 | 112.7 | ||||
| 893 | N | 25.6 | Very low | 28.4 | Very low | 71 Ų | 71 | 113.3 Ų | 113.3 | 38% | 0.38 | 59% | 0.586 | S | S | . | * | trans | -56.8 | 144.3 | -177.1 | -121.4 | -54 | 0 | 0 | 0 | 113 | F895 N896 S1146 S1147 | N893-F895 PolarHBondContact O-N 2.86Å; N893-N896 PolarHBondContact O-N 2.88Å; N893-S1146 PolarHBondContact ND2-O 3.34Å; N893-S1147 WeakPolarHBondContact CB-OG 3.46Å; N893-S1147 PolarHBondContact ND2-OG 2.92Å; N893-S1147 PolarHBondContact OD1-OG 3.3Å | ||
| 894 | P | 27.3 | Very low | 28.6 | Very low | 91 Ų | 91 | 109.3 Ų | 109.3 | 59% | 0.591 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -15.9 | -176.8 | -25.6 | 35.5 | 0 | 0 | 0 | 115.4 | N896 Q897 | P894-N896 VanDerWaalsContact C-N 3.29Å; P894-N896 PolarHBondContact O-N 2.99Å; P894-Q897 PolarHBondContact O-N 2.93Å |
| 895 | F | 26.6 | Very low | 29 | Very low | 68 Ų | 68 | 107 Ų | 107 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -21.3 | -177.2 | -76.2 | -74.1 | 0 | 0 | 0 | 115 | N893 Q897 S1147 V1149 G1150 | N893-F895 PolarHBondContact O-N 2.86Å; F895-Q897 PolarHBondContact O-N 3.3Å; F895-S1147 WeakPolarHBondContact CD2-OG 3.42Å; F895-V1149 HydrophobicContact CD1-CB 3.44Å; F895-V1149 VanDerWaalsContact CD1-CB 3.44Å; F895-V1149 HydrophobicContact CD1-CG1 3.44Å; F895-V1149 VanDerWaalsContact CD1-CG1 3.44Å; F895-V1149 HydrophobicContact CE1-CB 3.9Å; F895-V1149 HydrophobicContact CE1-CG1 3.74Å; F895-V1149 HydrophobicContact CG-CB 4.2Å; F895-G1150 VanDerWaalsContact CZ-N 3.28Å |
| 896 | N | 30.4 | Very low | 29.5 | Very low | 95 Ų | 95 | 105.3 Ų | 105.3 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.4 | -15.6 | 179.9 | -77.8 | -11.6 | 0 | 0 | 0 | 114.2 | N893 P894 | N893-N896 PolarHBondContact O-N 2.88Å; P894-N896 VanDerWaalsContact C-N 3.29Å; P894-N896 PolarHBondContact O-N 2.99Å |
| 897 | Q | 27.8 | Very low | 29.6 | Very low | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -82.4 | -28.9 | -177.2 | -72.4 | -173.4 | -8.2 | 0 | 0 | 114.1 | P894 F895 N899 Y900 I901 | P894-Q897 PolarHBondContact O-N 2.93Å; F895-Q897 PolarHBondContact O-N 3.3Å; Q897-N899 PolarHBondContact O-N 3.06Å; Q897-Y900 PolarHBondContact O-N 2.87Å; Q897-Y900 VanDerWaalsContact O-N 3.12Å; Q897-I901 PolarHBondContact O-N 3.39Å |
| 898 | V | 30.9 | Very low | 29.8 | Very low | 62 Ų | 62 | 97.1 Ų | 97.1 | 38% | 0.376 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | P864 Y900 I901 D902 | P864-V898 HydrophobicContact CG-CG2 4.13Å; V898-Y900 VanDerWaalsContact C-N 3.33Å; V898-Y900 PolarHBondContact O-N 3.32Å; V898-I901 PolarHBondContact O-N 3.12Å; V898-D902 PolarHBondContact O-N 2.96Å |
| 899 | N | 31 | Very low | 30.3 | Very low | 47 Ų | 47 | 92.3 Ų | 92.3 | 25% | 0.251 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.4 | -26.5 | 179 | -61.9 | -10.7 | 0 | 0 | 0 | 112.5 | Q897 I901 K903 H1306 | Q897-N899 PolarHBondContact O-N 3.06Å; N899-I901 VanDerWaalsContact C-N 3.33Å; N899-I901 PolarHBondContact O-N 2.88Å; N899-K903 VanDerWaalsContact O-CB 3.22Å; N899-K903 WeakPolarHBondContact O-CB 3.22Å; N899-K903 PolarHBondContact O-N 3.44Å; N899-K903 VanDerWaalsContact O-N 3.13Å; N899-H1306 PolarHBondContact ND2-CD2 2.81Å; N899-H1306 PolarHBondContact ND2-NE2 3.49Å |
| 900 | Y | 30.2 | Very low | 30.6 | Very low | 150 Ų | 150 | 86.3 Ų | 86.3 | 59% | 0.588 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.7 | -27.9 | 178 | -147 | -88 | 0 | 0 | 0 | 112.5 | Q897 V898 L904 | Q897-Y900 PolarHBondContact O-N 2.87Å; Q897-Y900 VanDerWaalsContact O-N 3.12Å; V898-Y900 VanDerWaalsContact C-N 3.33Å; V898-Y900 PolarHBondContact O-N 3.32Å; Y900-L904 HydrophobicContact CD1-CD1 4.02Å; Y900-L904 HydrophobicContact CD1-CG 4.48Å; Y900-L904 HydrophobicContact CE1-CD1 4.28Å; Y900-L904 WeakPolarHBondContact O-CB 3.22Å; Y900-L904 PolarHBondContact O-N 3.17Å |
| 901 | I | 33 | Very low | 31 | Very low | 36 Ų | 36 | 84.8 Ų | 84.8 | 19% | 0.185 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -82.8 | -40.1 | 178.8 | -69.1 | 159.7 | 0 | 0 | 0 | 111.7 | P864 P865 Q897 V898 N899 K903 L904 T905 | P864-I901 HydrophobicContact CB-CD1 3.44Å; P864-I901 VanDerWaalsContact CB-CD1 3.44Å; P865-I901 HydrophobicContact CG-CD1 4.47Å; P865-I901 HydrophobicContact CG-CG2 4.31Å; P865-I901 VanDerWaalsContact O-CD1 3.26Å; P865-I901 WeakPolarHBondContact O-CD1 3.29Å; Q897-I901 PolarHBondContact O-N 3.39Å; V898-I901 PolarHBondContact O-N 3.12Å; N899-I901 VanDerWaalsContact C-N 3.33Å; N899-I901 PolarHBondContact O-N 2.88Å; I901-K903 PolarHBondContact O-N 3.45Å; I901-L904 PolarHBondContact O-N 2.96Å; I901-T905 WeakPolarHBondContact O-CB 3.43Å; I901-T905 PolarHBondContact O-N 2.69Å; I901-T905 PolarHBondContact O-OG1 3.13Å |
| 902 | D | 33.3 | Very low | 31.2 | Very low | 42 Ų | 42 | 86.3 Ų | 86.3 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.7 | -34.5 | 169.3 | -103.8 | -8.4 | 0 | 0 | 0 | 110 | V898 Y906 R1174 | V898-D902 PolarHBondContact O-N 2.96Å; D902-Y906 WeakPolarHBondContact O-CB 3.28Å; D902-Y906 PolarHBondContact O-N 3.18Å; D902-R1174 IonicContact OD2-NH1 3.85Å; D902-R1174 IonicContact OD2-NH2 3.47Å |
| 903 | K | 32.2 | Very low | 31.8 | Very low | 77 Ų | 77 | 84.9 Ų | 84.9 | 34% | 0.335 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.7 | -37.9 | 174.5 | -173.8 | 175.9 | 175.3 | 176.4 | 0 | 114.6 | N899 I901 Y906 T907 E1310 | N899-K903 VanDerWaalsContact O-CB 3.22Å; N899-K903 WeakPolarHBondContact O-CB 3.22Å; N899-K903 PolarHBondContact O-N 3.44Å; N899-K903 VanDerWaalsContact O-N 3.13Å; I901-K903 PolarHBondContact O-N 3.45Å; K903-Y906 PolarHBondContact O-N 2.99Å; K903-T907 WeakPolarHBondContact O-CB 3.43Å; K903-T907 PolarHBondContact O-N 3.42Å; K903-T907 PolarHBondContact O-OG1 3.37Å; K903-E1310 WeakPolarHBondContact CE-OE2 3.37Å; K903-E1310 IonicContact NZ-OE1 3.7Å; K903-E1310 PolarHBondContact NZ-OE1 2.62Å; K903-E1310 IonicContact NZ-OE2 3.69Å; K903-E1310 PolarHBondContact NZ-OE2 2.82Å |
| 904 | L | 31.1 | Very low | 32.2 | Very low | 84 Ų | 84 | 86.9 Ų | 86.9 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 170.5 | -96.1 | 163.1 | 0 | 0 | 0 | 111.6 | Y900 I901 Y906 T907 W908 | Y900-L904 HydrophobicContact CD1-CD1 4.02Å; Y900-L904 HydrophobicContact CD1-CG 4.48Å; Y900-L904 HydrophobicContact CE1-CD1 4.28Å; Y900-L904 WeakPolarHBondContact O-CB 3.22Å; Y900-L904 PolarHBondContact O-N 3.17Å; I901-L904 PolarHBondContact O-N 2.96Å; L904-Y906 VanDerWaalsContact C-N 3.31Å; L904-Y906 PolarHBondContact O-N 3.06Å; L904-T907 WeakPolarHBondContact CA-OG1 3.48Å; L904-T907 PolarHBondContact O-N 2.94Å; L904-T907 PolarHBondContact O-OG1 3.41Å; L904-T907 VanDerWaalsContact O-OG1 3.09Å; L904-W908 WeakPolarHBondContact O-CB 3.49Å; L904-W908 PolarHBondContact O-N 3.14Å |
| 905 | T | 34.4 | Very low | 32.3 | Very low | 61 Ų | 61 | 88.4 Ų | 88.4 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.5 | -46.1 | 0 | 0 | 0 | 0 | 111 | I901 A909 | I901-T905 WeakPolarHBondContact O-CB 3.43Å; I901-T905 PolarHBondContact O-N 2.69Å; I901-T905 PolarHBondContact O-OG1 3.13Å; T905-A909 WeakPolarHBondContact O-CB 3.15Å; T905-A909 PolarHBondContact O-N 3.32Å |
| 906 | Y | 35.6 | Very low | 32.5 | Very low | 63 Ų | 63 | 90.3 Ų | 90.3 | 25% | 0.247 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -73.9 | -38.2 | 177.6 | -163.7 | -128.3 | 0 | 0 | 0 | 113.3 | D902 K903 L904 A909 N910 E1307 | D902-Y906 WeakPolarHBondContact O-CB 3.28Å; D902-Y906 PolarHBondContact O-N 3.18Å; K903-Y906 PolarHBondContact O-N 2.99Å; L904-Y906 VanDerWaalsContact C-N 3.31Å; L904-Y906 PolarHBondContact O-N 3.06Å; Y906-A909 PolarHBondContact O-N 3.49Å; Y906-N910 WeakPolarHBondContact O-CB 3.45Å; Y906-N910 VanDerWaalsContact O-CG 3.29Å; Y906-N910 PolarHBondContact O-N 3.32Å; Y906-N910 PolarHBondContact O-ND2 3.4Å; Y906-E1307 WeakPolarHBondContact CE1-OE1 3.28Å; Y906-E1307 PolarHBondContact OH-OE1 3.08Å |
| 907 | T | 31 | Very low | 32.5 | Very low | 65 Ų | 65 | 91 Ų | 91 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | 172.4 | 44 | 0 | 0 | 0 | 0 | 112 | K903 L904 L911 | K903-T907 WeakPolarHBondContact O-CB 3.43Å; K903-T907 PolarHBondContact O-N 3.42Å; K903-T907 PolarHBondContact O-OG1 3.37Å; L904-T907 WeakPolarHBondContact CA-OG1 3.48Å; L904-T907 PolarHBondContact O-N 2.94Å; L904-T907 PolarHBondContact O-OG1 3.41Å; L904-T907 VanDerWaalsContact O-OG1 3.09Å; T907-L911 WeakPolarHBondContact O-CB 3.37Å; T907-L911 WeakPolarHBondContact O-CD1 3.43Å; T907-L911 PolarHBondContact O-N 2.89Å |
| 908 | W | 31.6 | Very low | 32.8 | Very low | 170 Ų | 170 | 91.1 Ų | 91.1 | 64% | 0.644 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 169.5 | -115.8 | 53.1 | 0 | 0 | 0 | 112.6 | L904 L911 L912 | L904-W908 WeakPolarHBondContact O-CB 3.49Å; L904-W908 PolarHBondContact O-N 3.14Å; W908-L911 PolarHBondContact O-N 3.01Å; W908-L912 WeakPolarHBondContact O-CG 3.19Å; W908-L912 PolarHBondContact O-N 3.3Å |
| 909 | A | 36 | Very low | 32.8 | Very low | 42 Ų | 42 | 95.4 Ų | 95.4 | 35% | 0.347 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T905 Y906 L912 N913 | T905-A909 WeakPolarHBondContact O-CB 3.15Å; T905-A909 PolarHBondContact O-N 3.32Å; Y906-A909 PolarHBondContact O-N 3.49Å; A909-L912 PolarHBondContact O-N 3.35Å; A909-N913 PolarHBondContact O-N 3.14Å |
| 910 | N | 35.7 | Very low | 33 | Very low | 65 Ų | 65 | 98.2 Ų | 98.2 | 35% | 0.348 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76.5 | -33.8 | 178.7 | -71.6 | -22 | 0 | 0 | 0 | 112.9 | Y906 L912 N913 T914 | Y906-N910 WeakPolarHBondContact O-CB 3.45Å; Y906-N910 VanDerWaalsContact O-CG 3.29Å; Y906-N910 PolarHBondContact O-N 3.32Å; Y906-N910 PolarHBondContact O-ND2 3.4Å; N910-L912 PolarHBondContact O-N 2.98Å; N910-N913 PolarHBondContact O-N 3.44Å; N910-T914 PolarHBondContact O-N 3.42Å; N910-T914 PolarHBondContact O-OG1 3.48Å |
| 911 | L | 35 | Very low | 33.1 | Very low | 130 Ų | 130 | 95.3 Ų | 95.3 | 68% | 0.681 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -27 | 170.7 | -106.8 | 87.8 | 0 | 0 | 0 | 113 | T907 W908 | T907-L911 WeakPolarHBondContact O-CB 3.37Å; T907-L911 WeakPolarHBondContact O-CD1 3.43Å; T907-L911 PolarHBondContact O-N 2.89Å; W908-L911 PolarHBondContact O-N 3.01Å |
| 912 | L | 32.9 | Very low | 33.1 | Very low | 134 Ų | 134 | 98.1 Ų | 98.1 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -83.4 | -17.8 | 179.3 | -77 | 165.1 | 0 | 0 | 0 | 113.7 | W908 A909 N910 | W908-L912 WeakPolarHBondContact O-CG 3.19Å; W908-L912 PolarHBondContact O-N 3.3Å; A909-L912 PolarHBondContact O-N 3.35Å; N910-L912 PolarHBondContact O-N 2.98Å |
| 913 | N | 37.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 102.4 Ų | 102.4 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -110.5 | -5.9 | -172 | -83.5 | -13 | 0 | 0 | 0 | 115.4 | A909 N910 | A909-N913 PolarHBondContact O-N 3.14Å; N910-N913 PolarHBondContact O-N 3.44Å |
| 914 | T | 34 | Very low | 33.2 | Very low | 112 Ų | 112 | 102.2 Ų | 102.2 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | trans | -96.7 | 107.5 | 179.1 | 50.2 | 0 | 0 | 0 | 0 | 113 | N910 S916 | N910-T914 PolarHBondContact O-N 3.42Å; N910-T914 PolarHBondContact O-OG1 3.48Å; T914-S916 PolarHBondContact O-N 3.41Å | ||
| 915 | S | 28.8 | Very low | 33.4 | Very low | 123 Ų | 123 | 104.1 Ų | 104.1 | 86% | 0.86 | 58% | 0.584 | S | S | * | * | trans | -84.3 | 106.4 | -179 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 916 | S | 30.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 76% | 0.755 | 60% | 0.6 | S | S | * | * | trans | -148.9 | 104.6 | 149.9 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | T914 | T914-S916 PolarHBondContact O-N 3.41Š| ||
| 917 | S | 29.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 112.7 Ų | 112.7 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | trans | -58.5 | 133.5 | 164.6 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 918 | T | 34.3 | Very low | 33.7 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | S | Bend | -160.2 | -1.8 | 62.5 | 37.7 | 0 | 0 | 0 | 0 | 114.2 | T921 | T918-T921 PolarHBondContact O-OG1 3.48Š| |
| 919 | L | 31.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 110 Ų | 110 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -94.1 | -20 | -174 | -90.6 | 154.6 | 0 | 0 | 0 | 114.3 | T921 | L919-T921 VanDerWaalsContact C-N 3.34Å; L919-T921 PolarHBondContact O-N 3.24Å |
| 920 | L | 33.6 | Very low | 33.8 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 56% | 0.555 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.5 | -19.1 | -179.1 | -112.6 | 90.3 | 0 | 0 | 0 | 113.7 | C922 H923 L924 | L920-C922 PolarHBondContact O-N 3.36Å; L920-H923 PolarHBondContact O-N 2.81Å; L920-L924 HydrophobicContact CB-CD1 4.06Å; L920-L924 HydrophobicContact CB-CG 4.49Å; L920-L924 HydrophobicContact CD2-CD1 3.91Å; L920-L924 HydrophobicContact CD2-CG 4.17Å; L920-L924 HydrophobicContact CG-CD1 4.49Å; L920-L924 WeakPolarHBondContact O-CB 3.49Å; L920-L924 WeakPolarHBondContact O-CG 3.39Å; L920-L924 PolarHBondContact O-N 3.1Å |
| 921 | T | 33.8 | Very low | 34 | Very low | 89 Ų | 89 | 113.1 Ų | 113.1 | 55% | 0.546 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.3 | -41.6 | -175.2 | 22.8 | 0 | 0 | 0 | 0 | 113.4 | T918 L919 E925 | T918-T921 PolarHBondContact O-OG1 3.48Å; L919-T921 VanDerWaalsContact C-N 3.34Å; L919-T921 PolarHBondContact O-N 3.24Å; T921-E925 WeakPolarHBondContact O-CB 3.37Å; T921-E925 PolarHBondContact O-N 3.39Å |
| 922 | C | 33 | Very low | 33.9 | Very low | 95 Ų | 95 | 112.1 Ų | 112.1 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.1 | -31.9 | 178.3 | -78.9 | 0 | 0 | 0 | 0 | 113.7 | L920 | L920-C922 PolarHBondContact O-N 3.36Å |
| 923 | H | 32 | Very low | 34.1 | Very low | 132 Ų | 132 | 109.8 Ų | 109.8 | 61% | 0.611 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -83.4 | -34.2 | 175.2 | -81.9 | -72.3 | 0 | 0 | 0 | 112.4 | L920 R926 L927 | L920-H923 PolarHBondContact O-N 2.81Å; H923-R926 PolarHBondContact O-N 3.06Å; H923-L927 WeakPolarHBondContact O-CB 3.24Å; H923-L927 PolarHBondContact O-N 3.31Å |
| 924 | L | 35.4 | Very low | 34.1 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 38% | 0.382 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.4 | -37.3 | 170.2 | -82.4 | 169.7 | 0 | 0 | 0 | 111.8 | L920 L927 Q928 | L920-L924 HydrophobicContact CB-CD1 4.06Å; L920-L924 HydrophobicContact CB-CG 4.49Å; L920-L924 HydrophobicContact CD2-CD1 3.91Å; L920-L924 HydrophobicContact CD2-CG 4.17Å; L920-L924 HydrophobicContact CG-CD1 4.49Å; L920-L924 WeakPolarHBondContact O-CB 3.49Å; L920-L924 WeakPolarHBondContact O-CG 3.39Å; L920-L924 PolarHBondContact O-N 3.1Å; L924-L927 PolarHBondContact O-N 3.43Å; L924-Q928 WeakPolarHBondContact O-CA 3.22Å; L924-Q928 WeakPolarHBondContact O-CB 3.35Å; L924-Q928 WeakPolarHBondContact O-CG 3.36Å; L924-Q928 PolarHBondContact O-N 3.3Å |
| 925 | E | 35.1 | Very low | 34.2 | Very low | 123 Ų | 123 | 109.3 Ų | 109.3 | 58% | 0.575 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.2 | -39.1 | 175 | -81.5 | -171 | 131.3 | 0 | 0 | 112.1 | T921 N929 | T921-E925 WeakPolarHBondContact O-CB 3.37Å; T921-E925 PolarHBondContact O-N 3.39Å; E925-N929 WeakPolarHBondContact O-CB 3.29Å; E925-N929 PolarHBondContact O-N 2.96Å; E925-N929 PolarHBondContact O-ND2 3.33Å |
| 926 | R | 34 | Very low | 34.5 | Very low | 191 Ų | 191 | 106.4 Ų | 106.4 | 72% | 0.721 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.5 | -45.5 | 174.1 | -86.4 | 178.6 | 160.3 | 170.5 | -6.6 | 112.7 | H923 N929 L930 | H923-R926 PolarHBondContact O-N 3.06Å; R926-N929 PolarHBondContact O-N 3.26Å; R926-L930 PolarHBondContact O-N 3Å |
| 927 | L | 34.3 | Very low | 34.6 | Very low | 114 Ų | 114 | 107.5 Ų | 107.5 | 60% | 0.597 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.9 | -29.2 | 178 | -76.9 | 163.3 | 0 | 0 | 0 | 113.3 | H923 L924 S931 | H923-L927 WeakPolarHBondContact O-CB 3.24Å; H923-L927 PolarHBondContact O-N 3.31Å; L924-L927 PolarHBondContact O-N 3.43Å; L927-S931 VanDerWaalsContact O-CB 3.31Å; L927-S931 WeakPolarHBondContact O-CB 3.17Å; L927-S931 PolarHBondContact O-N 3.46Å; L927-S931 PolarHBondContact O-OG 3.04Å |
| 928 | Q | 38 | Very low | 35.1 | Very low | 76 Ų | 76 | 106.7 Ų | 106.7 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.1 | -34.5 | 170.3 | -74.8 | -174.8 | 9.5 | 0 | 0 | 111.1 | L924 S931 K932 | L924-Q928 WeakPolarHBondContact O-CA 3.22Å; L924-Q928 WeakPolarHBondContact O-CB 3.35Å; L924-Q928 WeakPolarHBondContact O-CG 3.36Å; L924-Q928 PolarHBondContact O-N 3.3Å; Q928-S931 WeakPolarHBondContact CA-OG 3.39Å; Q928-K932 HydrophobicContact CB-CD 4.31Å; Q928-K932 WeakPolarHBondContact O-CA 3.15Å; Q928-K932 WeakPolarHBondContact O-CB 3.25Å; Q928-K932 WeakPolarHBondContact O-CD 3.39Å; Q928-K932 WeakPolarHBondContact O-CG 3.41Å; Q928-K932 PolarHBondContact O-N 3.45Å |
| 929 | N | 35.9 | Very low | 35.3 | Very low | 101 Ų | 101 | 107.7 Ų | 107.7 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -74 | -32.7 | 176.2 | -70.3 | -17.4 | 0 | 0 | 0 | 111.9 | E925 R926 S933 | E925-N929 WeakPolarHBondContact O-CB 3.29Å; E925-N929 PolarHBondContact O-N 2.96Å; E925-N929 PolarHBondContact O-ND2 3.33Å; R926-N929 PolarHBondContact O-N 3.26Å; N929-S933 PolarHBondContact O-N 3.08Å; N929-S933 PolarHBondContact O-OG 2.93Å |
| 930 | L | 34.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 104.8 Ų | 104.8 | 64% | 0.644 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -71.9 | -35.8 | 170.3 | -84.4 | 155.9 | 0 | 0 | 0 | 113.4 | R926 S933 | R926-L930 PolarHBondContact O-N 3Å; L930-S933 PolarHBondContact O-OG 3.24Å |
| 931 | S | 39.4 | Very low | 36.5 | Very low | 51 Ų | 51 | 103.2 Ų | 103.2 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -84.2 | -27.4 | 175.4 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | L927 Q928 S933 F935 | L927-S931 VanDerWaalsContact O-CB 3.31Å; L927-S931 WeakPolarHBondContact O-CB 3.17Å; L927-S931 PolarHBondContact O-N 3.46Å; L927-S931 PolarHBondContact O-OG 3.04Å; Q928-S931 WeakPolarHBondContact CA-OG 3.39Å; S931-S933 VanDerWaalsContact C-N 3.35Å; S931-F935 WeakPolarHBondContact O-CB 3.33Å; S931-F935 PolarHBondContact O-N 3.04Å |
| 932 | K | 34.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 102 Ų | 102 | 47% | 0.47 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.1 | -21.7 | 176.2 | -77.5 | 168.9 | -177.9 | 163.5 | 0 | 113.4 | Q928 T936 | Q928-K932 HydrophobicContact CB-CD 4.31Å; Q928-K932 WeakPolarHBondContact O-CA 3.15Å; Q928-K932 WeakPolarHBondContact O-CB 3.25Å; Q928-K932 WeakPolarHBondContact O-CD 3.39Å; Q928-K932 WeakPolarHBondContact O-CG 3.41Å; Q928-K932 PolarHBondContact O-N 3.45Å; K932-T936 HydrophobicContact CB-CG2 4.21Å; K932-T936 HydrophobicContact CG-CG2 4.43Å; K932-T936 WeakPolarHBondContact O-CB 2.99Å; K932-T936 WeakPolarHBondContact O-CG2 3.42Å; K932-T936 PolarHBondContact O-OG1 3.32Å |
| 933 | S | 36.4 | Very low | 38.2 | Very low | 85 Ų | 85 | 103.5 Ų | 103.5 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -85.5 | -30.3 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | N929 L930 S931 | N929-S933 PolarHBondContact O-N 3.08Å; N929-S933 PolarHBondContact O-OG 2.93Å; L930-S933 PolarHBondContact O-OG 3.24Å; S931-S933 VanDerWaalsContact C-N 3.35Å |
| 934 | V | 36.6 | Very low | 39.4 | Very low | 94 Ų | 94 | 100.9 Ų | 100.9 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -101.1 | -34.7 | -174.8 | -176.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 935 | F | 36 | Very low | 40.5 | Very low | 129 Ų | 129 | 98.8 Ų | 98.8 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -101.2 | -9.4 | -174.3 | -75.9 | -94.1 | 0 | 0 | 0 | 115.6 | S931 K939 | S931-F935 WeakPolarHBondContact O-CB 3.33Å; S931-F935 PolarHBondContact O-N 3.04Å; F935-K939 WeakPolarHBondContact O-CB 3.4Å; F935-K939 PolarHBondContact O-N 3.44Å |
| 936 | T | 35 | Very low | 41.6 | Very low | 62 Ų | 62 | 94.9 Ų | 94.9 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | -176.2 | 39.2 | 0 | 0 | 0 | 0 | 113 | K932 I938 K939 V940 | K932-T936 HydrophobicContact CB-CG2 4.21Å; K932-T936 HydrophobicContact CG-CG2 4.43Å; K932-T936 WeakPolarHBondContact O-CB 2.99Å; K932-T936 WeakPolarHBondContact O-CG2 3.42Å; K932-T936 PolarHBondContact O-OG1 3.32Å; T936-I938 VanDerWaalsContact C-N 3.29Å; T936-I938 PolarHBondContact O-N 2.58Å; T936-K939 PolarHBondContact O-N 3.44Å; T936-V940 PolarHBondContact O-N 3.1Å |
| 937 | N | 34.6 | Very low | 43.1 | Very low | 131 Ų | 131 | 92.3 Ų | 92.3 | 70% | 0.701 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.3 | -32.8 | 179.6 | -68.2 | -13.1 | 0 | 0 | 0 | 112.4 | ||
| 938 | I | 39.6 | Very low | 44.6 | Very low | 94 Ų | 94 | 92.2 Ų | 92.2 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -78.8 | -32.3 | -180 | -61.5 | 172.6 | 0 | 0 | 0 | 111.6 | T936 L942 | T936-I938 VanDerWaalsContact C-N 3.29Å; T936-I938 PolarHBondContact O-N 2.58Å; I938-L942 HydrophobicContact CG2-CD1 3.93Å; I938-L942 PolarHBondContact O-N 3.32Å |
| 939 | K | 38.3 | Very low | 46.1 | Very low | 133 Ų | 133 | 89.3 Ų | 89.3 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71 | -29.3 | -180 | -108.3 | -179 | 173.6 | 178.3 | 0 | 114.3 | F935 T936 H943 | F935-K939 WeakPolarHBondContact O-CB 3.4Å; F935-K939 PolarHBondContact O-N 3.44Å; T936-K939 PolarHBondContact O-N 3.44Å; K939-H943 WeakPolarHBondContact O-CB 3.38Å; K939-H943 PolarHBondContact O-N 3.26Å |
| 940 | V | 43.1 | Very low | 47.8 | Very low | 90 Ų | 90 | 89 Ų | 89 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.4 | -53.2 | -178 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | T936 L942 H943 D944 | T936-V940 PolarHBondContact O-N 3.1Å; V940-L942 PolarHBondContact O-N 2.97Å; V940-H943 PolarHBondContact O-N 2.87Å; V940-H943 VanDerWaalsContact O-N 3.16Å; V940-D944 PolarHBondContact O-N 3.31Å |
| 941 | D | 48.4 | Very low | 49.6 | Very low | 74 Ų | 74 | 85.1 Ų | 85.1 | 40% | 0.396 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.2 | -50.2 | 179.2 | -73.7 | 4.9 | 0 | 0 | 0 | 112.4 | N830 H943 D944 I945 | N830-D941 PolarHBondContact ND2-OD2 2.85Å; D941-H943 VanDerWaalsContact C-N 3.27Å; D941-H943 PolarHBondContact O-N 3.14Å; D941-D944 PolarHBondContact O-N 3.5Å; D941-I945 VanDerWaalsContact O-CB 3.29Å; D941-I945 WeakPolarHBondContact O-CB 3.25Å; D941-I945 VanDerWaalsContact O-CG1 3.25Å; D941-I945 WeakPolarHBondContact O-CG1 3.3Å; D941-I945 PolarHBondContact O-N 2.85Å |
| 942 | L | 48.2 | Very low | 51.2 | Low | 64 Ų | 64 | 87.5 Ų | 87.5 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 179.3 | -96.5 | 155.4 | 0 | 0 | 0 | 112.7 | L829 I938 V940 T946 | L829-L942 HydrophobicContact CD2-CD1 3.87Å; L829-L942 HydrophobicContact CD2-CD2 4.19Å; L829-L942 HydrophobicContact CD2-CG 4.11Å; I938-L942 HydrophobicContact CG2-CD1 3.93Å; I938-L942 PolarHBondContact O-N 3.32Å; V940-L942 PolarHBondContact O-N 2.97Å; L942-T946 VanDerWaalsContact O-CB 3.24Å; L942-T946 WeakPolarHBondContact O-CB 3.45Å; L942-T946 PolarHBondContact O-N 2.82Å; L942-T946 PolarHBondContact O-OG1 3.44Å |
| 943 | H | 53.8 | Low | 53.1 | Low | 125 Ų | 125 | 82.4 Ų | 82.4 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.8 | -45.2 | -180 | -171.2 | 71.8 | 0 | 0 | 0 | 111.9 | K939 V940 D941 T946 K947 | K939-H943 WeakPolarHBondContact O-CB 3.38Å; K939-H943 PolarHBondContact O-N 3.26Å; V940-H943 PolarHBondContact O-N 2.87Å; V940-H943 VanDerWaalsContact O-N 3.16Å; D941-H943 VanDerWaalsContact C-N 3.27Å; D941-H943 PolarHBondContact O-N 3.14Å; H943-T946 PolarHBondContact O-N 3.33Å; H943-K947 WeakPolarHBondContact O-CB 3.26Å; H943-K947 PolarHBondContact O-N 3.12Å |
| 944 | D | 58 | Low | 55 | Low | 78 Ų | 78 | 81.2 Ų | 81.2 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 178.7 | -83.4 | -26.9 | 0 | 0 | 0 | 112.3 | V940 D941 T946 K947 Q948 | V940-D944 PolarHBondContact O-N 3.31Å; D941-D944 PolarHBondContact O-N 3.5Å; D944-T946 PolarHBondContact O-N 2.99Å; D944-K947 PolarHBondContact O-N 2.88Å; D944-Q948 WeakPolarHBondContact O-CG 3.34Å; D944-Q948 PolarHBondContact O-N 2.84Å |
| 945 | I | 57.6 | Low | 56.9 | Low | 29 Ų | 29 | 79 Ų | 79 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57 | -49 | 170.7 | -76.6 | 171.4 | 0 | 0 | 0 | 111 | I833 I837 D941 K947 Q948 L949 | I833-I945 HydrophobicContact CD1-CG2 4.4Å; I833-I945 HydrophobicContact CG2-CG2 3.43Å; I833-I945 VanDerWaalsContact CG2-CG2 3.43Å; I837-I945 HydrophobicContact CD1-CG2 4.06Å; D941-I945 VanDerWaalsContact O-CB 3.29Å; D941-I945 WeakPolarHBondContact O-CB 3.25Å; D941-I945 VanDerWaalsContact O-CG1 3.25Å; D941-I945 WeakPolarHBondContact O-CG1 3.3Å; D941-I945 PolarHBondContact O-N 2.85Å; I945-K947 VanDerWaalsContact C-N 3.3Å; I945-K947 PolarHBondContact O-N 3.2Å; I945-Q948 PolarHBondContact O-N 3.12Å; I945-L949 HydrophobicContact CG2-CD1 4.14Å; I945-L949 PolarHBondContact O-N 3.25Å |
| 946 | T | 58.9 | Low | 58.8 | Low | 41 Ų | 41 | 73.3 Ų | 73.3 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 178.3 | -62 | 0 | 0 | 0 | 0 | 111.4 | L942 H943 D944 R950 I1079 | L942-T946 VanDerWaalsContact O-CB 3.24Å; L942-T946 WeakPolarHBondContact O-CB 3.45Å; L942-T946 PolarHBondContact O-N 2.82Å; L942-T946 PolarHBondContact O-OG1 3.44Å; H943-T946 PolarHBondContact O-N 3.33Å; D944-T946 PolarHBondContact O-N 2.99Å; T946-R950 WeakPolarHBondContact O-CB 3.41Å; T946-R950 PolarHBondContact O-N 3.27Å; T946-I1079 HydrophobicContact CG2-CD1 3.58Å; T946-I1079 HydrophobicContact CG2-CG1 3.8Å |
| 947 | K | 64.5 | Low | 60.7 | Low | 136 Ų | 136 | 71.4 Ų | 71.4 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.2 | -39.1 | 178.5 | -168.1 | 179 | -179.4 | -176.9 | 0 | 112.4 | H943 D944 I945 G951 | H943-K947 WeakPolarHBondContact O-CB 3.26Å; H943-K947 PolarHBondContact O-N 3.12Å; D944-K947 PolarHBondContact O-N 2.88Å; I945-K947 VanDerWaalsContact C-N 3.3Å; I945-K947 PolarHBondContact O-N 3.2Å; K947-G951 PolarHBondContact O-N 3.34Å; K947-G951 VanDerWaalsContact O-N 3.11Å |
| 948 | Q | 66.9 | Low | 62.6 | Low | 113 Ų | 113 | 69.6 Ų | 69.6 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 173.9 | -72.1 | -176.6 | 26.2 | 0 | 0 | 112.3 | D944 I945 G951 R952 | D944-Q948 WeakPolarHBondContact O-CG 3.34Å; D944-Q948 PolarHBondContact O-N 2.84Å; I945-Q948 PolarHBondContact O-N 3.12Å; Q948-G951 PolarHBondContact O-N 2.94Å; Q948-R952 WeakPolarHBondContact O-CG 3.47Å; Q948-R952 PolarHBondContact O-N 3.25Å; Q948-R952 VanDerWaalsContact O-N 3.13Å |
| 949 | L | 68.6 | Low | 64.2 | Low | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.3 | -49 | 174.6 | -88.2 | 162.2 | 0 | 0 | 0 | 111.3 | I833 I837 I945 G951 R952 L953 | I833-L949 HydrophobicContact CG2-CD1 4.47Å; I837-L949 HydrophobicContact CD1-CD1 3.91Å; I837-L949 HydrophobicContact CD1-CD2 4.27Å; I837-L949 HydrophobicContact CD1-CG 3.77Å; I837-L949 HydrophobicContact CG1-CD1 4.26Å; I837-L949 HydrophobicContact CG1-CD2 3.88Å; I837-L949 HydrophobicContact CG1-CG 3.96Å; I945-L949 HydrophobicContact CG2-CD1 4.14Å; I945-L949 PolarHBondContact O-N 3.25Å; L949-G951 PolarHBondContact O-N 3.3Å; L949-R952 PolarHBondContact O-N 3.11Å; L949-L953 WeakPolarHBondContact O-CG 3.2Å; L949-L953 PolarHBondContact O-N 3.02Å |
| 950 | R | 71.3 | Confident | 65.5 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.4 | -51.3 | 175.8 | -177.7 | -179.5 | 170.8 | -154.5 | -15.9 | 111.9 | T946 R952 L953 E954 I1079 | T946-R950 WeakPolarHBondContact O-CB 3.41Å; T946-R950 PolarHBondContact O-N 3.27Å; R950-R952 VanDerWaalsContact C-N 3.31Å; R950-R952 PolarHBondContact O-N 3.48Å; R950-L953 PolarHBondContact O-N 2.97Å; R950-E954 HydrophobicContact CG-CG 4.3Å; R950-E954 IonicContact CZ-OE1 3.69Å; R950-E954 IonicContact NE-OE1 3.9Å; R950-E954 PolarHBondContact NE-OE1 3.43Å; R950-E954 IonicContact NE-OE2 2.9Å; R950-E954 IonicContact NH2-OE1 3.6Å; R950-E954 PolarHBondContact NH2-OE1 2.91Å; R950-E954 IonicContact NH2-OE2 2.69Å; R950-E954 WeakPolarHBondContact O-CB 3.48Å; R950-E954 WeakPolarHBondContact O-CG 3.41Å; R950-E954 PolarHBondContact O-N 3.03Å; R950-I1079 HydrophobicContact CB-CG2 3.63Å; R950-I1079 HydrophobicContact CG-CG2 3.56Å |
| 951 | G | 71.8 | Confident | 66.8 | Low | 41 Ų | 41 | 66.5 Ų | 66.5 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K947 Q948 L949 S955 | K947-G951 PolarHBondContact O-N 3.34Å; K947-G951 VanDerWaalsContact O-N 3.11Å; Q948-G951 PolarHBondContact O-N 2.94Å; L949-G951 PolarHBondContact O-N 3.3Å; G951-S955 PolarHBondContact O-N 3.43Å |
| 952 | R | 73.8 | Confident | 68 | Low | 101 Ų | 101 | 69 Ų | 69 | 38% | 0.381 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 175.4 | -69.5 | -177.9 | -177.8 | -162.9 | 7.7 | 112.3 | I837 Q948 L949 R950 S955 C956 | I837-R952 PolarHBondContact O-NH1 3.22Å; Q948-R952 WeakPolarHBondContact O-CG 3.47Å; Q948-R952 PolarHBondContact O-N 3.25Å; Q948-R952 VanDerWaalsContact O-N 3.13Å; L949-R952 PolarHBondContact O-N 3.11Å; R950-R952 VanDerWaalsContact C-N 3.31Å; R950-R952 PolarHBondContact O-N 3.48Å; R952-S955 WeakPolarHBondContact O-CB 3.38Å; R952-S955 PolarHBondContact O-N 2.9Å; R952-C956 PolarHBondContact O-N 3.09Å; R952-C956 PolarHBondContact O-SG 3.47Å |
| 953 | L | 74.1 | Confident | 69.5 | Low | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69 | -36.6 | -179.4 | -65.5 | 171.3 | 0 | 0 | 0 | 112.2 | L842 L857 L949 R950 C956 L957 I1069 F1073 | L842-L953 HydrophobicContact CD1-CD2 4.02Å; L842-L953 HydrophobicContact CD2-CD2 4.12Å; L857-L953 HydrophobicContact CD1-CD1 4.24Å; L857-L953 HydrophobicContact CD1-CD2 3.98Å; L949-L953 WeakPolarHBondContact O-CG 3.2Å; L949-L953 PolarHBondContact O-N 3.02Å; R950-L953 PolarHBondContact O-N 2.97Å; L953-C956 PolarHBondContact O-N 3.44Å; L953-L957 PolarHBondContact O-N 2.88Å; L953-I1069 HydrophobicContact CB-CG2 4.26Å; L953-I1069 HydrophobicContact CD2-CG2 4.17Å; L953-F1073 HydrophobicContact CB-CE1 4.25Å; L953-F1073 HydrophobicContact CB-CE2 3.53Å; L953-F1073 HydrophobicContact CB-CZ 3.36Å; L953-F1073 HydrophobicContact CD1-CZ 4.41Å |
| 954 | E | 76.1 | Confident | 70.7 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 173.2 | -73.9 | -176.9 | 169.1 | 0 | 0 | 111.9 | R950 L957 T958 F1073 P1081 | R950-E954 HydrophobicContact CG-CG 4.3Å; R950-E954 IonicContact CZ-OE1 3.69Å; R950-E954 IonicContact NE-OE1 3.9Å; R950-E954 PolarHBondContact NE-OE1 3.43Å; R950-E954 IonicContact NE-OE2 2.9Å; R950-E954 IonicContact NH2-OE1 3.6Å; R950-E954 PolarHBondContact NH2-OE1 2.91Å; R950-E954 IonicContact NH2-OE2 2.69Å; R950-E954 WeakPolarHBondContact O-CB 3.48Å; R950-E954 WeakPolarHBondContact O-CG 3.41Å; R950-E954 PolarHBondContact O-N 3.03Å; E954-L957 PolarHBondContact O-N 3.21Å; E954-T958 PolarHBondContact O-OG1 3.47Å; E954-F1073 HydrophobicContact CG-CE1 4.47Å; E954-F1073 HydrophobicContact CG-CZ 3.86Å; E954-P1081 HydrophobicContact CG-CB 4.46Å; E954-P1081 WeakPolarHBondContact OE1-CB 3.39Å |
| 955 | S | 76.7 | Confident | 71.4 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.1 | -150.7 | 0 | 0 | 0 | 0 | 111.5 | G951 R952 L957 T958 E959 | G951-S955 PolarHBondContact O-N 3.43Å; R952-S955 WeakPolarHBondContact O-CB 3.38Å; R952-S955 PolarHBondContact O-N 2.9Å; S955-L957 PolarHBondContact O-N 2.56Å; S955-T958 PolarHBondContact O-N 3.05Å; S955-T958 PolarHBondContact O-OG1 2.92Å; S955-E959 WeakPolarHBondContact CB-OE1 3.27Å; S955-E959 WeakPolarHBondContact O-CG 3.41Å; S955-E959 PolarHBondContact O-N 3.35Å; S955-E959 PolarHBondContact OG-OE1 2.87Å |
| 956 | C | 75.4 | Confident | 72.4 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -22.2 | -176.7 | -61.6 | 0 | 0 | 0 | 0 | 114.2 | L842 R952 L953 T958 I1069 | L842-C956 PolarHBondContact O-SG 2.88Å; R952-C956 PolarHBondContact O-N 3.09Å; R952-C956 PolarHBondContact O-SG 3.47Å; L953-C956 PolarHBondContact O-N 3.44Å; C956-T958 VanDerWaalsContact C-N 3.32Å; C956-I1069 HydrophobicContact CB-CD1 3.49Å; C956-I1069 VanDerWaalsContact CB-CD1 3.49Å |
| 957 | L | 74.9 | Confident | 73.4 | Confident | 22 Ų | 22 | 65.9 Ų | 65.9 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.9 | 172.9 | -71.4 | 176.8 | 0 | 0 | 0 | 113.8 | L953 E954 S955 E1066 I1069 F1073 L1087 P1090 | L953-L957 PolarHBondContact O-N 2.88Å; E954-L957 PolarHBondContact O-N 3.21Å; S955-L957 PolarHBondContact O-N 2.56Å; L957-E1066 HydrophobicContact CD2-CB 4.27Å; L957-E1066 HydrophobicContact CD2-CG 4.48Å; L957-I1069 HydrophobicContact CD1-CG2 4.1Å; L957-I1069 HydrophobicContact CD2-CB 3.96Å; L957-I1069 HydrophobicContact CD2-CG2 3.81Å; L957-I1069 HydrophobicContact CG-CB 4.38Å; L957-I1069 HydrophobicContact CG-CG2 3.68Å; L957-F1073 HydrophobicContact CD1-CD2 3.85Å; L957-F1073 HydrophobicContact CD1-CE2 3.59Å; L957-F1073 HydrophobicContact CG-CE2 4.41Å; L957-L1087 HydrophobicContact CD1-CD2 3.88Å; L957-P1090 HydrophobicContact CD2-CG 4.46Å |
| 958 | T | 74.7 | Confident | 74 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 56% | 0.564 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | -16.7 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 114.5 | E954 S955 C956 | E954-T958 PolarHBondContact O-OG1 3.47Å; S955-T958 PolarHBondContact O-N 3.05Å; S955-T958 PolarHBondContact O-OG1 2.92Å; C956-T958 VanDerWaalsContact C-N 3.32Å |
| 959 | E | 72.9 | Confident | 74.6 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | trans | -75.6 | 121.4 | 176.6 | -75.2 | 167.8 | -160.8 | 0 | 0 | 112.9 | R850 S955 I961 | R850-E959 IonicContact NH1-OE2 3.27Å; R850-E959 PolarHBondContact NH1-OE2 2.71Å; R850-E959 IonicContact NH2-OE2 2.7Å; S955-E959 WeakPolarHBondContact CB-OE1 3.27Å; S955-E959 WeakPolarHBondContact O-CG 3.41Å; S955-E959 PolarHBondContact O-N 3.35Å; S955-E959 PolarHBondContact OG-OE1 2.87Å; E959-I961 HydrophobicContact CB-CD1 3.92Å; E959-I961 HydrophobicContact CB-CG1 4.23Å; E959-I961 WeakPolarHBondContact OE2-CD1 3.16Å | ||
| 960 | V | 67 | Low | 75.4 | Confident | 137 Ų | 137 | 59.5 Ų | 59.5 | 83% | 0.83 | 31% | 0.314 | S | S | * | . | trans | -87.5 | 111.9 | 170.1 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 961 | I | 69.5 | Low | 76 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 21% | 0.205 | 32% | 0.321 | C | S | . | . | trans | -125.6 | 145.1 | -174.4 | -69.9 | 171.4 | 0 | 0 | 0 | 111 | E959 | E959-I961 HydrophobicContact CB-CD1 3.92Å; E959-I961 HydrophobicContact CB-CG1 4.23Å; E959-I961 WeakPolarHBondContact OE2-CD1 3.16Å | ||
| 962 | Y | 73.6 | Confident | 76.7 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | trans | -86.2 | 118.9 | 167.5 | -71.2 | -82.7 | 0 | 0 | 0 | 109.4 | I1003 | Y962-I1003 HydrophobicContact CE1-CD1 4.21Š| ||
| 963 | Y | 78.8 | Confident | 77.3 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 9% | 0.086 | 30% | 0.302 | C | S | . | . | trans | -80.3 | 139.1 | 179.9 | -60.5 | -66.8 | 0 | 0 | 0 | 111.9 | R845 A847 E965 I966 L1061 V1065 | R845-Y963 VanDerWaalsContact O-CA 3.31Å; R845-Y963 WeakPolarHBondContact O-CA 3.45Å; A847-Y963 HydrophobicContact CB-CD1 3.53Å; A847-Y963 HydrophobicContact CB-CD2 4.21Å; A847-Y963 HydrophobicContact CB-CE1 3.84Å; A847-Y963 HydrophobicContact CB-CE2 4.49Å; A847-Y963 HydrophobicContact CB-CG 3.73Å; Y963-E965 PolarHBondContact O-N 3.02Å; Y963-I966 HydrophobicContact CD2-CD1 4.21Å; Y963-I966 WeakPolarHBondContact O-CB 3.28Å; Y963-I966 PolarHBondContact O-N 3.11Å; Y963-I966 VanDerWaalsContact O-N 3.14Å; Y963-L1061 HydrophobicContact CD2-CB 3.69Å; Y963-L1061 HydrophobicContact CD2-CD1 4.44Å; Y963-L1061 HydrophobicContact CE2-CB 4.05Å; Y963-L1061 HydrophobicContact CG-CB 4.4Å; Y963-V1065 HydrophobicContact CE1-CG2 4.04Å | ||
| 964 | E | 80.1 | Confident | 77.9 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -66.6 | -24.8 | -179.9 | -75.9 | 179.7 | -173.4 | 0 | 0 | 112.5 | R845 L846 I966 L967 | R845-E964 HydrophobicContact CB-CG 3.87Å; R845-E964 VanDerWaalsContact CD-OE1 3.32Å; R845-E964 WeakPolarHBondContact CD-OE1 3.43Å; R845-E964 PolarHBondContact O-N 3.31Å; L846-E964 HydrophobicContact CD2-CB 4.19Å; E964-I966 PolarHBondContact O-N 3.43Å; E964-I966 VanDerWaalsContact O-N 3.08Å; E964-L967 WeakPolarHBondContact O-CB 3.43Å; E964-L967 PolarHBondContact O-N 3.38Å; E964-L967 VanDerWaalsContact O-N 3.1Å |
| 965 | E | 72.9 | Confident | 78.4 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -61 | -16 | 172.9 | -62.9 | 104.6 | 138.6 | 0 | 0 | 114.1 | L846 A847 M848 Y963 L1061 | L846-E965 WeakPolarHBondContact CA-OE2 3.24Å; L846-E965 HydrophobicContact CD2-CG 4.37Å; A847-E965 VanDerWaalsContact N-CD 3.31Å; A847-E965 PolarHBondContact N-OE1 3.17Å; A847-E965 PolarHBondContact N-OE2 3.02Å; M848-E965 PolarHBondContact N-OE1 3.46Å; Y963-E965 PolarHBondContact O-N 3.02Å; E965-L1061 HydrophobicContact CB-CD1 3.94Å |
| 966 | I | 77.8 | Confident | 79 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -87 | -8.5 | 179.7 | -51.1 | 163.6 | 0 | 0 | 0 | 111.7 | Y963 E964 A968 P969 F970 Q1058 L1061 | Y963-I966 HydrophobicContact CD2-CD1 4.21Å; Y963-I966 WeakPolarHBondContact O-CB 3.28Å; Y963-I966 PolarHBondContact O-N 3.11Å; Y963-I966 VanDerWaalsContact O-N 3.14Å; E964-I966 PolarHBondContact O-N 3.43Å; E964-I966 VanDerWaalsContact O-N 3.08Å; I966-A968 VanDerWaalsContact C-N 3.29Å; I966-A968 PolarHBondContact O-N 2.95Å; I966-A968 VanDerWaalsContact O-N 3.12Å; I966-P969 VanDerWaalsContact O-CD 3.29Å; I966-P969 WeakPolarHBondContact O-CD 3.27Å; I966-F970 HydrophobicContact CG2-CB 4.39Å; I966-F970 VanDerWaalsContact O-CB 3.26Å; I966-F970 WeakPolarHBondContact O-CB 3.34Å; I966-F970 PolarHBondContact O-N 2.73Å; I966-Q1058 HydrophobicContact CD1-CB 3.78Å; I966-Q1058 HydrophobicContact CD1-CG 3.8Å; I966-L1061 HydrophobicContact CD1-CD1 4.12Å; I966-L1061 HydrophobicContact CG1-CD1 3.58Å |
| 967 | L | 80.2 | Confident | 79.6 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -30 | -167.5 | -171.8 | 143.4 | 0 | 0 | 0 | 114.6 | E964 K971 | E964-L967 WeakPolarHBondContact O-CB 3.43Å; E964-L967 PolarHBondContact O-N 3.38Å; E964-L967 VanDerWaalsContact O-N 3.1Å; L967-K971 HydrophobicContact CD2-CD 4.06Å; L967-K971 WeakPolarHBondContact O-CG 3.35Å; L967-K971 PolarHBondContact O-N 3.34Å; L967-K971 VanDerWaalsContact O-N 3.14Å |
| 968 | A | 77 | Confident | 80.2 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75 | -54.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | I966 F970 K971 L972 | I966-A968 VanDerWaalsContact C-N 3.29Å; I966-A968 PolarHBondContact O-N 2.95Å; I966-A968 VanDerWaalsContact O-N 3.12Å; A968-F970 PolarHBondContact O-N 3.45Å; A968-K971 PolarHBondContact O-N 3.21Å; A968-K971 VanDerWaalsContact O-N 3.15Å; A968-L972 PolarHBondContact O-N 2.86Å; A968-L972 VanDerWaalsContact O-N 3.14Å |
| 969 | P | 80 | Confident | 80.8 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.8 | -37.2 | 169.6 | -30.1 | 36.1 | 0 | 0 | 0 | 114.1 | I966 L972 M973 L1057 | I966-P969 VanDerWaalsContact O-CD 3.29Å; I966-P969 WeakPolarHBondContact O-CD 3.27Å; P969-L972 PolarHBondContact O-N 3.4Å; P969-M973 WeakPolarHBondContact O-CB 3.24Å; P969-M973 PolarHBondContact O-N 3.02Å; P969-L1057 HydrophobicContact CB-CD2 4.42Å; P969-L1057 HydrophobicContact CG-CD2 3.74Å |
| 970 | F | 84 | Confident | 81.5 | Confident | 44 Ų | 44 | 57 Ų | 57 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.8 | -171.9 | -102.3 | 0 | 0 | 0 | 112.5 | I966 A968 M973 Q974 V1000 L1001 I1003 | I966-F970 HydrophobicContact CG2-CB 4.39Å; I966-F970 VanDerWaalsContact O-CB 3.26Å; I966-F970 WeakPolarHBondContact O-CB 3.34Å; I966-F970 PolarHBondContact O-N 2.73Å; A968-F970 PolarHBondContact O-N 3.45Å; F970-M973 HydrophobicContact CD2-CE 3.54Å; F970-M973 HydrophobicContact CE2-CE 3.57Å; F970-M973 HydrophobicContact CG-CE 4.37Å; F970-M973 HydrophobicContact CZ-CE 4.42Å; F970-Q974 HydrophobicContact CE1-CG 4.38Å; F970-Q974 WeakPolarHBondContact O-CG 3.44Å; F970-Q974 PolarHBondContact O-N 3.03Å; F970-V1000 HydrophobicContact CE1-CG1 4.17Å; F970-V1000 HydrophobicContact CZ-CG1 4.29Å; F970-L1001 VanDerWaalsContact CZ-O 3.3Å; F970-L1001 WeakPolarHBondContact CZ-O 3.09Å; F970-I1003 HydrophobicContact CD2-CG1 4.45Å; F970-I1003 HydrophobicContact CE2-CG1 4.18Å |
| 971 | K | 85.4 | Confident | 82.4 | Confident | 118 Ų | 118 | 51 Ų | 51 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 172.2 | -80.8 | 174.1 | 174.4 | 178.4 | 0 | 111.7 | L967 A968 M973 Q974 E975 | L967-K971 HydrophobicContact CD2-CD 4.06Å; L967-K971 WeakPolarHBondContact O-CG 3.35Å; L967-K971 PolarHBondContact O-N 3.34Å; L967-K971 VanDerWaalsContact O-N 3.14Å; A968-K971 PolarHBondContact O-N 3.21Å; A968-K971 VanDerWaalsContact O-N 3.15Å; K971-M973 VanDerWaalsContact C-N 3.34Å; K971-M973 PolarHBondContact O-N 3.2Å; K971-Q974 WeakPolarHBondContact O-CB 3.32Å; K971-Q974 PolarHBondContact O-N 2.85Å; K971-Q974 VanDerWaalsContact O-N 3.08Å; K971-E975 PolarHBondContact O-N 3.48Å |
| 972 | L | 85 | Confident | 83.1 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 178.3 | -176.4 | 66.6 | 0 | 0 | 0 | 111.8 | A968 P969 Q974 E975 D976 T1050 | A968-L972 PolarHBondContact O-N 2.86Å; A968-L972 VanDerWaalsContact O-N 3.14Å; P969-L972 PolarHBondContact O-N 3.4Å; L972-Q974 VanDerWaalsContact C-N 3.32Å; L972-Q974 PolarHBondContact O-N 2.69Å; L972-E975 PolarHBondContact O-N 2.96Å; L972-E975 VanDerWaalsContact O-N 3.17Å; L972-D976 PolarHBondContact O-N 3.36Å; L972-T1050 HydrophobicContact CD2-CG2 4.2Å; L972-T1050 HydrophobicContact CG-CG2 4.48Å |
| 973 | M | 86.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 173.6 | -177.3 | -163.1 | 68.4 | 0 | 0 | 112.1 | P969 F970 K971 C977 I1003 C1006 V1051 C1054 | P969-M973 WeakPolarHBondContact O-CB 3.24Å; P969-M973 PolarHBondContact O-N 3.02Å; F970-M973 HydrophobicContact CD2-CE 3.54Å; F970-M973 HydrophobicContact CE2-CE 3.57Å; F970-M973 HydrophobicContact CG-CE 4.37Å; F970-M973 HydrophobicContact CZ-CE 4.42Å; K971-M973 VanDerWaalsContact C-N 3.34Å; K971-M973 PolarHBondContact O-N 3.2Å; M973-C977 WeakPolarHBondContact O-CB 3.28Å; M973-C977 PolarHBondContact O-N 3.13Å; M973-C977 PolarHBondContact O-SG 3.39Å; M973-C977 VanDerWaalsContact O-SG 3.34Å; M973-I1003 HydrophobicContact CE-CG1 3.99Å; M973-I1003 HydrophobicContact SD-CG1 4.04Å; M973-C1006 HydrophobicContact SD-CB 4.33Å; M973-V1051 HydrophobicContact CG-CB 4.4Å; M973-V1051 HydrophobicContact CG-CG2 3.56Å; M973-V1051 HydrophobicContact SD-CB 4.49Å; M973-V1051 HydrophobicContact SD-CG2 3.96Å; M973-C1054 HydrophobicContact SD-CB 4.08Å |
| 974 | Q | 87 | Confident | 83.8 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -34.2 | 176.3 | -72.8 | -166 | -11.1 | 0 | 0 | 113.1 | F970 K971 L972 R978 L1001 | F970-Q974 HydrophobicContact CE1-CG 4.38Å; F970-Q974 WeakPolarHBondContact O-CG 3.44Å; F970-Q974 PolarHBondContact O-N 3.03Å; K971-Q974 WeakPolarHBondContact O-CB 3.32Å; K971-Q974 PolarHBondContact O-N 2.85Å; K971-Q974 VanDerWaalsContact O-N 3.08Å; L972-Q974 VanDerWaalsContact C-N 3.32Å; L972-Q974 PolarHBondContact O-N 2.69Å; Q974-R978 WeakPolarHBondContact O-CB 3.44Å; Q974-R978 WeakPolarHBondContact O-CD 3.19Å; Q974-R978 WeakPolarHBondContact O-CG 3.42Å; Q974-R978 PolarHBondContact O-N 2.89Å; Q974-L1001 HydrophobicContact CG-CB 4.29Å; Q974-L1001 PolarHBondContact NE2-O 2.99Å |
| 975 | E | 87.4 | Confident | 83.8 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 55% | 0.547 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.6 | -50.4 | 176.1 | -73.2 | 168.7 | -168.6 | 0 | 0 | 111.2 | K971 L972 C977 R978 E979 | K971-E975 PolarHBondContact O-N 3.48Å; L972-E975 PolarHBondContact O-N 2.96Å; L972-E975 VanDerWaalsContact O-N 3.17Å; E975-C977 PolarHBondContact O-N 3.46Å; E975-R978 PolarHBondContact O-N 3.02Å; E975-E979 PolarHBondContact O-N 2.94Å |
| 976 | D | 89 | Confident | 84.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.7 | -80.7 | -24.1 | 0 | 0 | 0 | 111.9 | L972 R978 E979 L980 Q1043 R1046 T1047 T1050 | L972-D976 PolarHBondContact O-N 3.36Å; D976-R978 PolarHBondContact O-N 3.35Å; D976-E979 PolarHBondContact O-N 2.81Å; D976-L980 PolarHBondContact O-N 2.61Å; D976-Q1043 PolarHBondContact O-NE2 2.99Å; D976-R1046 IonicContact OD1-CZ 3.29Å; D976-R1046 IonicContact OD1-NE 3.97Å; D976-R1046 PolarHBondContact OD1-NE 3.28Å; D976-R1046 IonicContact OD1-NH2 2.69Å; D976-R1046 PolarHBondContact OD1-NH2 3.32Å; D976-R1046 IonicContact OD2-NE 3.04Å; D976-T1047 HydrophobicContact CB-CG2 4.2Å; D976-T1047 PolarHBondContact O-OG1 3.37Å; D976-T1050 WeakPolarHBondContact OD2-CB 3.14Å; D976-T1050 WeakPolarHBondContact OD2-CG2 3.33Å; D976-T1050 PolarHBondContact OD2-OG1 2.98Å |
| 977 | C | 87.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.8 | -74.7 | 0 | 0 | 0 | 0 | 113 | M973 E975 E979 L980 I981 L1001 L1009 T1047 | M973-C977 WeakPolarHBondContact O-CB 3.28Å; M973-C977 PolarHBondContact O-N 3.13Å; M973-C977 PolarHBondContact O-SG 3.39Å; M973-C977 VanDerWaalsContact O-SG 3.34Å; E975-C977 PolarHBondContact O-N 3.46Å; C977-E979 VanDerWaalsContact C-N 3.34Å; C977-L980 PolarHBondContact O-N 3.43Å; C977-I981 VanDerWaalsContact O-CG1 3.3Å; C977-I981 WeakPolarHBondContact O-CG1 3.37Å; C977-I981 PolarHBondContact O-N 2.95Å; C977-L1001 HydrophobicContact CB-CD1 3.78Å; C977-L1009 HydrophobicContact CB-CD2 4.08Å; C977-T1047 HydrophobicContact CB-CG2 4.32Å; C977-T1047 WeakPolarHBondContact SG-CG2 3.29Å |
| 978 | R | 87.6 | Confident | 83.3 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.9 | -36 | 174.7 | -78.4 | 169.9 | 179.6 | 149.5 | 3.6 | 111.5 | Q974 E975 D976 I981 R982 G999 L1001 | Q974-R978 WeakPolarHBondContact O-CB 3.44Å; Q974-R978 WeakPolarHBondContact O-CD 3.19Å; Q974-R978 WeakPolarHBondContact O-CG 3.42Å; Q974-R978 PolarHBondContact O-N 2.89Å; E975-R978 PolarHBondContact O-N 3.02Å; D976-R978 PolarHBondContact O-N 3.35Å; R978-I981 PolarHBondContact O-N 3.42Å; R978-R982 WeakPolarHBondContact O-CG 3.49Å; R978-R982 PolarHBondContact O-N 3.42Å; R978-G999 PolarHBondContact NH2-O 3.36Å; R978-L1001 HydrophobicContact CG-CD1 4.2Å |
| 979 | E | 87 | Confident | 83.1 | Confident | 68 Ų | 68 | 49.6 Ų | 49.6 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 174.5 | -165.3 | 57.9 | -151.9 | 0 | 0 | 111.8 | E975 D976 C977 I981 R982 L983 | E975-E979 PolarHBondContact O-N 2.94Å; D976-E979 PolarHBondContact O-N 2.81Å; C977-E979 VanDerWaalsContact C-N 3.34Å; E979-I981 VanDerWaalsContact C-N 3.33Å; E979-I981 PolarHBondContact O-N 3.46Å; E979-R982 WeakPolarHBondContact O-CB 3.47Å; E979-R982 PolarHBondContact O-N 3.11Å; E979-R982 VanDerWaalsContact O-N 3.12Å; E979-R982 VanDerWaalsContact OE2-CD 3.27Å; E979-R982 WeakPolarHBondContact OE2-CD 3.19Å; E979-R982 IonicContact OE2-CZ 3.08Å; E979-R982 IonicContact OE2-NE 2.83Å; E979-R982 IonicContact OE2-NH1 2.61Å; E979-R982 PolarHBondContact OE2-NH1 2.79Å; E979-L983 PolarHBondContact O-N 3.3Å |
| 980 | L | 87.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 172 | -173 | 62.1 | 0 | 0 | 0 | 111.8 | D976 C977 R982 L983 M984 L1009 L1010 V1013 Q1043 F1044 T1047 | D976-L980 PolarHBondContact O-N 2.61Å; C977-L980 PolarHBondContact O-N 3.43Å; L980-R982 VanDerWaalsContact C-N 3.34Å; L980-R982 PolarHBondContact O-N 3.35Å; L980-L983 PolarHBondContact O-N 3.45Å; L980-M984 WeakPolarHBondContact O-CG 3.07Å; L980-M984 PolarHBondContact O-N 3.27Å; L980-L1009 HydrophobicContact CD2-CD2 4.24Å; L980-L1009 HydrophobicContact CD2-CG 4.36Å; L980-L1010 HydrophobicContact CD2-CD2 4.04Å; L980-V1013 HydrophobicContact CD2-CG2 4.21Å; L980-V1013 HydrophobicContact CG-CG2 4.48Å; L980-Q1043 HydrophobicContact CB-CG 4.34Å; L980-Q1043 HydrophobicContact CD1-CB 4.39Å; L980-Q1043 HydrophobicContact CD1-CG 4.25Å; L980-F1044 HydrophobicContact CD1-CB 4.32Å; L980-T1047 HydrophobicContact CD2-CG2 4.08Å |
| 981 | I | 86.1 | Confident | 81.8 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 174.3 | -69.3 | 164.7 | 0 | 0 | 0 | 111.8 | C977 R978 E979 K985 V991 I995 L1001 L1009 | C977-I981 VanDerWaalsContact O-CG1 3.3Å; C977-I981 WeakPolarHBondContact O-CG1 3.37Å; C977-I981 PolarHBondContact O-N 2.95Å; R978-I981 PolarHBondContact O-N 3.42Å; E979-I981 VanDerWaalsContact C-N 3.33Å; E979-I981 PolarHBondContact O-N 3.46Å; I981-K985 HydrophobicContact CG2-CD 4.37Å; I981-K985 WeakPolarHBondContact O-CG 3.33Å; I981-K985 PolarHBondContact O-N 2.8Å; I981-K985 VanDerWaalsContact O-N 3.12Å; I981-V991 HydrophobicContact CG2-CG2 4.49Å; I981-I995 HydrophobicContact CD1-CG2 4.05Å; I981-L1001 HydrophobicContact CD1-CD1 4.39Å; I981-L1009 HydrophobicContact CD1-CD2 4.02Å; I981-L1009 HydrophobicContact CG1-CD1 3.96Å; I981-L1009 HydrophobicContact CG1-CD2 3.84Å |
| 982 | R | 85 | Confident | 81.1 | Confident | 156 Ų | 156 | 49.8 Ų | 49.8 | 59% | 0.589 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 173.8 | -74.1 | 171 | -177.4 | 153.2 | -1.9 | 111.4 | R978 E979 L980 K985 S986 | R978-R982 WeakPolarHBondContact O-CG 3.49Å; R978-R982 PolarHBondContact O-N 3.42Å; E979-R982 WeakPolarHBondContact O-CB 3.47Å; E979-R982 PolarHBondContact O-N 3.11Å; E979-R982 VanDerWaalsContact O-N 3.12Å; E979-R982 VanDerWaalsContact OE2-CD 3.27Å; E979-R982 WeakPolarHBondContact OE2-CD 3.19Å; E979-R982 IonicContact OE2-CZ 3.08Å; E979-R982 IonicContact OE2-NE 2.83Å; E979-R982 IonicContact OE2-NH1 2.61Å; E979-R982 PolarHBondContact OE2-NH1 2.79Å; L980-R982 VanDerWaalsContact C-N 3.34Å; L980-R982 PolarHBondContact O-N 3.35Å; R982-K985 PolarHBondContact O-N 2.96Å; R982-S986 PolarHBondContact O-N 2.86Å |
| 983 | L | 84.4 | Confident | 80.2 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.5 | -69.9 | 178.3 | 0 | 0 | 0 | 111.8 | E979 L980 K985 S986 G987 L1040 Q1043 | E979-L983 PolarHBondContact O-N 3.3Å; L980-L983 PolarHBondContact O-N 3.45Å; L983-K985 VanDerWaalsContact C-N 3.32Å; L983-K985 PolarHBondContact O-N 3.28Å; L983-S986 WeakPolarHBondContact CA-OG 3.3Å; L983-S986 PolarHBondContact O-N 2.87Å; L983-S986 VanDerWaalsContact O-N 3.09Å; L983-S986 PolarHBondContact O-OG 3.2Å; L983-G987 PolarHBondContact O-N 2.9Å; L983-L1040 HydrophobicContact CB-CD1 4.41Å; L983-Q1043 HydrophobicContact CD1-CB 3.49Å; L983-Q1043 VanDerWaalsContact CD1-CB 3.49Å; L983-Q1043 HydrophobicContact CD1-CG 3.73Å |
| 984 | M | 81.5 | Confident | 79.3 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.8 | -47.3 | 174.2 | -72.2 | -178.9 | 77 | 0 | 0 | 112.1 | L980 S986 G987 G988 L989 V991 L1009 V1013 I1016 L1040 | L980-M984 WeakPolarHBondContact O-CG 3.07Å; L980-M984 PolarHBondContact O-N 3.27Å; M984-S986 VanDerWaalsContact C-N 3.33Å; M984-S986 PolarHBondContact O-N 3.37Å; M984-G987 CarbonylContact O-C 2.87Å; M984-G987 PolarHBondContact O-N 2.77Å; M984-G988 PolarHBondContact O-N 3.46Å; M984-L989 HydrophobicContact CB-CB 4.23Å; M984-L989 HydrophobicContact CE-CB 4.3Å; M984-L989 HydrophobicContact CG-CD1 4.45Å; M984-L989 PolarHBondContact O-N 3.31Å; M984-V991 HydrophobicContact CB-CG2 4.09Å; M984-V991 HydrophobicContact CE-CG2 4.21Å; M984-V991 HydrophobicContact SD-CG2 4.31Å; M984-L1009 HydrophobicContact SD-CD1 3.91Å; M984-V1013 HydrophobicContact CE-CG2 4Å; M984-V1013 HydrophobicContact CG-CG2 4.36Å; M984-V1013 HydrophobicContact SD-CG2 3.46Å; M984-V1013 WeakPolarHBondContact SD-CG2 3.21Å; M984-I1016 HydrophobicContact CE-CD1 3.9Å; M984-L1040 HydrophobicContact CG-CD1 4.05Å |
| 985 | K | 81.9 | Confident | 78.5 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 47% | 0.47 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 176.9 | -73.7 | 177.6 | 178.4 | -174.8 | 0 | 112.6 | I981 R982 L983 G987 G988 V991 | I981-K985 HydrophobicContact CG2-CD 4.37Å; I981-K985 WeakPolarHBondContact O-CG 3.33Å; I981-K985 PolarHBondContact O-N 2.8Å; I981-K985 VanDerWaalsContact O-N 3.12Å; R982-K985 PolarHBondContact O-N 2.96Å; L983-K985 VanDerWaalsContact C-N 3.32Å; L983-K985 PolarHBondContact O-N 3.28Å; K985-G987 VanDerWaalsContact C-N 3.34Å; K985-G988 PolarHBondContact O-N 3.16Å; K985-V991 HydrophobicContact CG-CG2 4.29Å |
| 986 | S | 80.5 | Confident | 77.7 | Confident | 79 Ų | 79 | 54.9 Ų | 54.9 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.6 | -29.8 | 176.5 | 72.5 | 0 | 0 | 0 | 0 | 113.4 | R982 L983 M984 G988 | R982-S986 PolarHBondContact O-N 2.86Å; L983-S986 WeakPolarHBondContact CA-OG 3.3Å; L983-S986 PolarHBondContact O-N 2.87Å; L983-S986 VanDerWaalsContact O-N 3.09Å; L983-S986 PolarHBondContact O-OG 3.2Å; M984-S986 VanDerWaalsContact C-N 3.33Å; M984-S986 PolarHBondContact O-N 3.37Å; S986-G988 VanDerWaalsContact C-N 3.34Å |
| 987 | G | 68.4 | Low | 76.5 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 19% | 0.186 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L983 M984 K985 L989 | L983-G987 PolarHBondContact O-N 2.9Å; M984-G987 CarbonylContact O-C 2.87Å; M984-G987 PolarHBondContact O-N 2.77Å; K985-G987 VanDerWaalsContact C-N 3.34Å; G987-L989 PolarHBondContact O-N 2.81Å |
| 988 | G | 71.3 | Confident | 75.7 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 11.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M984 K985 S986 | M984-G988 PolarHBondContact O-N 3.46Å; K985-G988 PolarHBondContact O-N 3.16Å; S986-G988 VanDerWaalsContact C-N 3.34Å |
| 989 | L | 72.6 | Confident | 75 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 134.5 | -177.4 | -64.8 | 172.6 | 0 | 0 | 0 | 111.3 | M984 G987 V991 I1016 L1040 | M984-L989 HydrophobicContact CB-CB 4.23Å; M984-L989 HydrophobicContact CE-CB 4.3Å; M984-L989 HydrophobicContact CG-CD1 4.45Å; M984-L989 PolarHBondContact O-N 3.31Å; G987-L989 PolarHBondContact O-N 2.81Å; L989-V991 PolarHBondContact O-N 3.11Å; L989-I1016 HydrophobicContact CD1-CG2 4.06Å; L989-I1016 HydrophobicContact CD2-CG2 3.88Å; L989-L1040 HydrophobicContact CD1-CD1 3.92Å; L989-L1040 HydrophobicContact CD1-CD2 4.26Å |
| 990 | P | 69.7 | Low | 74.5 | Confident | 112 Ų | 112 | 65 Ų | 65 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 128.6 | 179.2 | 27.4 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 991 | V | 67.6 | Low | 74.2 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 21% | 0.212 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -99.4 | 130.4 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | I981 M984 K985 L989 S993 I995 | I981-V991 HydrophobicContact CG2-CG2 4.49Å; M984-V991 HydrophobicContact CB-CG2 4.09Å; M984-V991 HydrophobicContact CE-CG2 4.21Å; M984-V991 HydrophobicContact SD-CG2 4.31Å; K985-V991 HydrophobicContact CG-CG2 4.29Å; L989-V991 PolarHBondContact O-N 3.11Å; V991-S993 PolarHBondContact O-N 3.36Å; V991-I995 HydrophobicContact CG1-CD1 4.38Å |
| 992 | D | 69.1 | Low | 73.9 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 133.4 | -177.3 | -175.5 | 3.5 | 0 | 0 | 0 | 112.6 | Q994 I995 K1012 | D992-Q994 PolarHBondContact O-N 3.07Å; D992-Q994 PolarHBondContact OD1-N 3.26Å; D992-Q994 VanDerWaalsContact OD1-N 3.16Å; D992-I995 HydrophobicContact CB-CD1 4.47Å; D992-I995 PolarHBondContact O-N 2.98Å; D992-K1012 HydrophobicContact CB-CD 4.39Å; D992-K1012 IonicContact OD2-NZ 3.58Å; D992-K1012 PolarHBondContact OD2-NZ 2.94Å |
| 993 | S | 67 | Low | 73.6 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 81% | 0.811 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | -29 | 169.4 | 61.4 | 0 | 0 | 0 | 0 | 115.8 | V991 I995 | V991-S993 PolarHBondContact O-N 3.36Å; S993-I995 VanDerWaalsContact C-N 3.29Å; S993-I995 PolarHBondContact O-N 3.16Å |
| 994 | Q | 68.4 | Low | 73.5 | Confident | 151 Ų | 151 | 63.5 Ų | 63.5 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.6 | -179.9 | -60.2 | -172.4 | 5.7 | 0 | 0 | 113.9 | D992 P996 | D992-Q994 PolarHBondContact O-N 3.07Å; D992-Q994 PolarHBondContact OD1-N 3.26Å; D992-Q994 VanDerWaalsContact OD1-N 3.16Å; Q994-P996 WeakPolarHBondContact O-CD 3.28Å |
| 995 | I | 69.5 | Low | 73.7 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.046 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -89 | 118.1 | -177.8 | -58.3 | 176.8 | 0 | 0 | 0 | 109 | I981 V991 D992 S993 I997 L1001 L1009 | I981-I995 HydrophobicContact CD1-CG2 4.05Å; V991-I995 HydrophobicContact CG1-CD1 4.38Å; D992-I995 HydrophobicContact CB-CD1 4.47Å; D992-I995 PolarHBondContact O-N 2.98Å; S993-I995 VanDerWaalsContact C-N 3.29Å; S993-I995 PolarHBondContact O-N 3.16Å; I995-I997 PolarHBondContact O-N 2.88Å; I995-L1001 HydrophobicContact CG2-CD2 3.83Å; I995-L1009 HydrophobicContact CD1-CB 4.07Å; I995-L1009 HydrophobicContact CD1-CD1 3.85Å |
| 996 | P | 70.4 | Confident | 73.8 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 29% | 0.286 | 38% | 0.379 | S | S | . | . | trans | -74.4 | 92.5 | -173.9 | 29.9 | -35.3 | 0 | 0 | 0 | 111.5 | Q994 N998 G999 L1001 | Q994-P996 WeakPolarHBondContact O-CD 3.28Å; P996-N998 PolarHBondContact O-N 3.02Å; P996-N998 VanDerWaalsContact O-N 3.12Å; P996-G999 PolarHBondContact O-N 2.95Å; P996-L1001 HydrophobicContact CG-CD2 4.17Å | ||
| 997 | I | 64.8 | Low | 74 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37.3 | -175.8 | -59.7 | 173.9 | 0 | 0 | 0 | 112.5 | I995 | I995-I997 PolarHBondContact O-N 2.88Š|
| 998 | N | 69.2 | Low | 74.7 | Confident | 163 Ų | 163 | 63.4 Ų | 63.4 | 87% | 0.872 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 11.2 | -178.8 | -65 | -9.8 | 0 | 0 | 0 | 113.4 | P996 | P996-N998 PolarHBondContact O-N 3.02Å; P996-N998 VanDerWaalsContact O-N 3.12Å |
| 999 | G | 73.6 | Confident | 75.4 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 25% | 0.247 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -105.4 | -174.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R978 P996 L1001 | R978-G999 PolarHBondContact NH2-O 3.36Å; P996-G999 PolarHBondContact O-N 2.95Å; G999-L1001 PolarHBondContact O-N 2.83Å |
| 1000 | V | 77 | Confident | 76 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | trans | -77.2 | 112 | 166.4 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | F970 T1002 | F970-V1000 HydrophobicContact CE1-CG1 4.17Å; F970-V1000 HydrophobicContact CZ-CG1 4.29Å; V1000-T1002 PolarHBondContact O-N 3Å | ||
| 1001 | L | 79.6 | Confident | 76.7 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | trans | -72.1 | 124.8 | 173.2 | -65.8 | 169.1 | 0 | 0 | 0 | 108.8 | F970 Q974 C977 R978 I981 I995 P996 G999 H1005 | F970-L1001 VanDerWaalsContact CZ-O 3.3Å; F970-L1001 WeakPolarHBondContact CZ-O 3.09Å; Q974-L1001 HydrophobicContact CG-CB 4.29Å; Q974-L1001 PolarHBondContact NE2-O 2.99Å; C977-L1001 HydrophobicContact CB-CD1 3.78Å; R978-L1001 HydrophobicContact CG-CD1 4.2Å; I981-L1001 HydrophobicContact CD1-CD1 4.39Å; I995-L1001 HydrophobicContact CG2-CD2 3.83Å; P996-L1001 HydrophobicContact CG-CD2 4.17Å; G999-L1001 PolarHBondContact O-N 2.83Å; L1001-H1005 HydrophobicContact CD2-CB 4.22Å | ||
| 1002 | T | 80.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | trans | -85.4 | 160.6 | 173.2 | 67.9 | 0 | 0 | 0 | 0 | 109.5 | V1000 V1004 H1005 C1006 | V1000-T1002 PolarHBondContact O-N 3Å; T1002-V1004 PolarHBondContact O-N 3.26Å; T1002-V1004 VanDerWaalsContact O-N 3.14Å; T1002-V1004 PolarHBondContact OG1-N 3.44Å; T1002-H1005 PolarHBondContact N-ND1 2.83Å; T1002-H1005 WeakPolarHBondContact O-CB 3.33Å; T1002-H1005 PolarHBondContact O-N 2.92Å; T1002-H1005 PolarHBondContact OG1-CD2 2.65Å; T1002-H1005 VanDerWaalsContact OG1-CD2 3.32Å; T1002-H1005 PolarHBondContact OG1-N 3.4Å; T1002-H1005 VanDerWaalsContact OG1-N 3.13Å; T1002-H1005 PolarHBondContact OG1-ND1 3.48Å; T1002-C1006 PolarHBondContact O-N 2.98Å; T1002-C1006 PolarHBondContact O-SG 3.41Å | ||
| 1003 | I | 79.5 | Confident | 77.9 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.1 | -31.2 | 174.9 | -63 | 173.2 | 0 | 0 | 0 | 111.1 | Y962 F970 M973 C1006 K1007 L1055 | Y962-I1003 HydrophobicContact CE1-CD1 4.21Å; F970-I1003 HydrophobicContact CD2-CG1 4.45Å; F970-I1003 HydrophobicContact CE2-CG1 4.18Å; M973-I1003 HydrophobicContact CE-CG1 3.99Å; M973-I1003 HydrophobicContact SD-CG1 4.04Å; I1003-C1006 PolarHBondContact O-N 3.05Å; I1003-K1007 WeakPolarHBondContact O-CG 3.42Å; I1003-K1007 PolarHBondContact O-N 2.96Å; I1003-L1055 HydrophobicContact CG2-CD1 4.22Å |
| 1004 | V | 82.1 | Confident | 78.7 | Confident | 93 Ų | 93 | 56.7 Ų | 56.7 | 56% | 0.564 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.9 | -49.7 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | T1002 C1006 K1007 T1008 | T1002-V1004 PolarHBondContact O-N 3.26Å; T1002-V1004 VanDerWaalsContact O-N 3.14Å; T1002-V1004 PolarHBondContact OG1-N 3.44Å; V1004-C1006 VanDerWaalsContact C-N 3.29Å; V1004-C1006 PolarHBondContact O-N 3.31Å; V1004-K1007 PolarHBondContact O-N 3.12Å; V1004-T1008 PolarHBondContact O-N 3.02Å; V1004-T1008 PolarHBondContact O-OG1 3.05Å; V1004-T1008 VanDerWaalsContact O-OG1 3.12Å |
| 1005 | H | 85.9 | Confident | 79.3 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 176.6 | -56.3 | 159.8 | 0 | 0 | 0 | 111.8 | L1001 T1002 T1008 L1009 | L1001-H1005 HydrophobicContact CD2-CB 4.22Å; T1002-H1005 PolarHBondContact N-ND1 2.83Å; T1002-H1005 WeakPolarHBondContact O-CB 3.33Å; T1002-H1005 PolarHBondContact O-N 2.92Å; T1002-H1005 PolarHBondContact OG1-CD2 2.65Å; T1002-H1005 VanDerWaalsContact OG1-CD2 3.32Å; T1002-H1005 PolarHBondContact OG1-N 3.4Å; T1002-H1005 VanDerWaalsContact OG1-N 3.13Å; T1002-H1005 PolarHBondContact OG1-ND1 3.48Å; H1005-T1008 PolarHBondContact O-N 3.01Å; H1005-L1009 WeakPolarHBondContact O-CB 3.42Å; H1005-L1009 PolarHBondContact O-N 3.35Å |
| 1006 | C | 84.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | M973 T1002 I1003 V1004 L1009 L1010 V1051 | M973-C1006 HydrophobicContact SD-CB 4.33Å; T1002-C1006 PolarHBondContact O-N 2.98Å; T1002-C1006 PolarHBondContact O-SG 3.41Å; I1003-C1006 PolarHBondContact O-N 3.05Å; V1004-C1006 VanDerWaalsContact C-N 3.29Å; V1004-C1006 PolarHBondContact O-N 3.31Å; C1006-L1009 PolarHBondContact O-N 3.47Å; C1006-L1010 WeakPolarHBondContact O-CG 3.27Å; C1006-L1010 PolarHBondContact O-N 2.98Å; C1006-V1051 HydrophobicContact CB-CG1 4.49Å; C1006-V1051 HydrophobicContact CB-CG2 3.83Å |
| 1007 | K | 83.6 | Confident | 79.8 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.9 | -76.4 | -175.1 | 175.8 | -170.9 | 0 | 112.4 | I1003 V1004 L1009 L1010 Q1011 V1051 | I1003-K1007 WeakPolarHBondContact O-CG 3.42Å; I1003-K1007 PolarHBondContact O-N 2.96Å; V1004-K1007 PolarHBondContact O-N 3.12Å; K1007-L1009 VanDerWaalsContact C-N 3.34Å; K1007-L1009 PolarHBondContact O-N 3.16Å; K1007-L1010 PolarHBondContact O-N 3.47Å; K1007-Q1011 WeakPolarHBondContact O-CB 3.42Å; K1007-Q1011 PolarHBondContact O-N 3.42Å; K1007-V1051 HydrophobicContact CG-CG1 4.32Å |
| 1008 | T | 84 | Confident | 80.3 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 176 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | V1004 H1005 K1012 | V1004-T1008 PolarHBondContact O-N 3.02Å; V1004-T1008 PolarHBondContact O-OG1 3.05Å; V1004-T1008 VanDerWaalsContact O-OG1 3.12Å; H1005-T1008 PolarHBondContact O-N 3.01Å; T1008-K1012 WeakPolarHBondContact O-CG 3.35Å; T1008-K1012 PolarHBondContact O-N 3.03Å; T1008-K1012 VanDerWaalsContact O-N 3.17Å |
| 1009 | L | 85 | Confident | 80.4 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -51.5 | 173 | 176.6 | 67.3 | 0 | 0 | 0 | 111.3 | C977 L980 I981 M984 I995 H1005 C1006 K1007 Q1011 K1012 V1013 | C977-L1009 HydrophobicContact CB-CD2 4.08Å; L980-L1009 HydrophobicContact CD2-CD2 4.24Å; L980-L1009 HydrophobicContact CD2-CG 4.36Å; I981-L1009 HydrophobicContact CD1-CD2 4.02Å; I981-L1009 HydrophobicContact CG1-CD1 3.96Å; I981-L1009 HydrophobicContact CG1-CD2 3.84Å; M984-L1009 HydrophobicContact SD-CD1 3.91Å; I995-L1009 HydrophobicContact CD1-CB 4.07Å; I995-L1009 HydrophobicContact CD1-CD1 3.85Å; H1005-L1009 WeakPolarHBondContact O-CB 3.42Å; H1005-L1009 PolarHBondContact O-N 3.35Å; C1006-L1009 PolarHBondContact O-N 3.47Å; K1007-L1009 VanDerWaalsContact C-N 3.34Å; K1007-L1009 PolarHBondContact O-N 3.16Å; L1009-Q1011 PolarHBondContact O-N 3.4Å; L1009-K1012 PolarHBondContact O-N 3.46Å; L1009-V1013 HydrophobicContact CD1-CG2 4.35Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.42Å; L1009-V1013 PolarHBondContact O-N 3.12Å |
| 1010 | L | 86.1 | Confident | 80.1 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 179.9 | -72.2 | 173.9 | 0 | 0 | 0 | 112.2 | L980 C1006 K1007 K1012 V1013 A1014 F1044 T1047 R1048 V1051 | L980-L1010 HydrophobicContact CD2-CD2 4.04Å; C1006-L1010 WeakPolarHBondContact O-CG 3.27Å; C1006-L1010 PolarHBondContact O-N 2.98Å; K1007-L1010 PolarHBondContact O-N 3.47Å; L1010-K1012 VanDerWaalsContact C-N 3.35Å; L1010-K1012 PolarHBondContact O-N 2.91Å; L1010-V1013 PolarHBondContact O-N 3.25Å; L1010-A1014 WeakPolarHBondContact O-CB 3.36Å; L1010-A1014 PolarHBondContact O-N 3.44Å; L1010-F1044 HydrophobicContact CB-CE2 4.09Å; L1010-F1044 HydrophobicContact CD2-CD2 3.64Å; L1010-F1044 HydrophobicContact CD2-CE2 3.59Å; L1010-F1044 HydrophobicContact CG-CE2 4.45Å; L1010-F1044 WeakPolarHBondContact O-CE2 3.3Å; L1010-T1047 HydrophobicContact CD2-CG2 4.03Å; L1010-R1048 HydrophobicContact CD1-CB 4.3Å; L1010-R1048 HydrophobicContact CD2-CB 4.31Å; L1010-V1051 HydrophobicContact CD1-CB 3.86Å; L1010-V1051 HydrophobicContact CD1-CG1 3.99Å; L1010-V1051 HydrophobicContact CD1-CG2 3.83Å |
| 1011 | Q | 84.6 | Confident | 79.5 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.8 | -46 | 177.1 | -175.8 | 178.1 | -17.8 | 0 | 0 | 111.6 | K1007 L1009 A1014 E1015 | K1007-Q1011 WeakPolarHBondContact O-CB 3.42Å; K1007-Q1011 PolarHBondContact O-N 3.42Å; L1009-Q1011 PolarHBondContact O-N 3.4Å; Q1011-A1014 WeakPolarHBondContact O-CB 3.42Å; Q1011-A1014 PolarHBondContact O-N 3.48Å; Q1011-E1015 PolarHBondContact NE2-OE1 3.34Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.26Å; Q1011-E1015 PolarHBondContact O-N 3.02Å |
| 1012 | K | 80.7 | Confident | 78.5 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 178.2 | -69.6 | -172.5 | 176 | -162 | 0 | 113.1 | D992 T1008 L1009 L1010 A1014 E1015 I1016 | D992-K1012 HydrophobicContact CB-CD 4.39Å; D992-K1012 IonicContact OD2-NZ 3.58Å; D992-K1012 PolarHBondContact OD2-NZ 2.94Å; T1008-K1012 WeakPolarHBondContact O-CG 3.35Å; T1008-K1012 PolarHBondContact O-N 3.03Å; T1008-K1012 VanDerWaalsContact O-N 3.17Å; L1009-K1012 PolarHBondContact O-N 3.46Å; L1010-K1012 VanDerWaalsContact C-N 3.35Å; L1010-K1012 PolarHBondContact O-N 2.91Å; K1012-A1014 VanDerWaalsContact C-N 3.35Å; K1012-E1015 PolarHBondContact O-N 3.46Å; K1012-I1016 VanDerWaalsContact O-CG1 3.31Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.45Å; K1012-I1016 PolarHBondContact O-N 3.35Å |
| 1013 | V | 81.8 | Confident | 77.3 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 174.7 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | L980 M984 L1009 L1010 I1016 I1017 L1040 F1044 | L980-V1013 HydrophobicContact CD2-CG2 4.21Å; L980-V1013 HydrophobicContact CG-CG2 4.48Å; M984-V1013 HydrophobicContact CE-CG2 4Å; M984-V1013 HydrophobicContact CG-CG2 4.36Å; M984-V1013 HydrophobicContact SD-CG2 3.46Å; M984-V1013 WeakPolarHBondContact SD-CG2 3.21Å; L1009-V1013 HydrophobicContact CD1-CG2 4.35Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.42Å; L1009-V1013 PolarHBondContact O-N 3.12Å; L1010-V1013 PolarHBondContact O-N 3.25Å; V1013-I1016 PolarHBondContact O-N 3.49Å; V1013-I1017 HydrophobicContact CG1-CD1 3.77Å; V1013-I1017 HydrophobicContact CG1-CG1 4.33Å; V1013-I1017 VanDerWaalsContact O-CG1 3.32Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.11Å; V1013-I1017 PolarHBondContact O-N 2.94Å; V1013-L1040 HydrophobicContact CG1-CD2 4.29Å; V1013-F1044 HydrophobicContact CB-CD2 3.88Å; V1013-F1044 HydrophobicContact CB-CE2 4.2Å; V1013-F1044 HydrophobicContact CG1-CB 4.1Å; V1013-F1044 HydrophobicContact CG1-CD2 3.45Å; V1013-F1044 VanDerWaalsContact CG1-CD2 3.45Å; V1013-F1044 HydrophobicContact CG1-CE2 4.16Å; V1013-F1044 HydrophobicContact CG1-CG 3.96Å |
| 1014 | A | 82.6 | Confident | 75.8 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1010 Q1011 K1012 I1016 I1017 H1018 F1044 | L1010-A1014 WeakPolarHBondContact O-CB 3.36Å; L1010-A1014 PolarHBondContact O-N 3.44Å; Q1011-A1014 WeakPolarHBondContact O-CB 3.42Å; Q1011-A1014 PolarHBondContact O-N 3.48Å; K1012-A1014 VanDerWaalsContact C-N 3.35Å; A1014-I1016 PolarHBondContact O-N 2.95Å; A1014-I1017 PolarHBondContact O-N 3.01Å; A1014-H1018 VanDerWaalsContact O-CB 3.27Å; A1014-H1018 WeakPolarHBondContact O-CB 3.4Å; A1014-H1018 PolarHBondContact O-N 2.74Å; A1014-F1044 HydrophobicContact CB-CE2 4.3Å; A1014-F1044 HydrophobicContact CB-CZ 3.91Å |
| 1015 | E | 81.3 | Confident | 74 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 49% | 0.486 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.2 | -71.5 | 163.2 | -168.8 | 0 | 0 | 111.6 | Q1011 K1012 H1018 A1019 | Q1011-E1015 PolarHBondContact NE2-OE1 3.34Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.26Å; Q1011-E1015 PolarHBondContact O-N 3.02Å; K1012-E1015 PolarHBondContact O-N 3.46Å; E1015-H1018 PolarHBondContact O-N 3.24Å; E1015-A1019 WeakPolarHBondContact O-CB 3.28Å; E1015-A1019 PolarHBondContact O-N 2.95Å |
| 1016 | I | 75.2 | Confident | 71.8 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.205 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 176.7 | -65.5 | 167.2 | 0 | 0 | 0 | 111.8 | M984 L989 K1012 V1013 A1014 H1018 A1019 Q1020 | M984-I1016 HydrophobicContact CE-CD1 3.9Å; L989-I1016 HydrophobicContact CD1-CG2 4.06Å; L989-I1016 HydrophobicContact CD2-CG2 3.88Å; K1012-I1016 VanDerWaalsContact O-CG1 3.31Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.45Å; K1012-I1016 PolarHBondContact O-N 3.35Å; V1013-I1016 PolarHBondContact O-N 3.49Å; A1014-I1016 PolarHBondContact O-N 2.95Å; I1016-H1018 VanDerWaalsContact C-N 3.3Å; I1016-H1018 PolarHBondContact O-N 2.94Å; I1016-A1019 PolarHBondContact O-N 3.42Å; I1016-Q1020 WeakPolarHBondContact O-CG 3.46Å; I1016-Q1020 PolarHBondContact O-N 3.12Å |
| 1017 | I | 75.2 | Confident | 69.6 | Low | 11 Ų | 11 | 84.3 Ų | 84.3 | 6% | 0.056 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 178.7 | -69 | 169.6 | 0 | 0 | 0 | 110.7 | V1013 A1014 K1021 L1040 F1044 | V1013-I1017 HydrophobicContact CG1-CD1 3.77Å; V1013-I1017 HydrophobicContact CG1-CG1 4.33Å; V1013-I1017 VanDerWaalsContact O-CG1 3.32Å; V1013-I1017 WeakPolarHBondContact O-CG1 3.11Å; V1013-I1017 PolarHBondContact O-N 2.94Å; A1014-I1017 PolarHBondContact O-N 3.01Å; I1017-K1021 HydrophobicContact CG2-CD 4.29Å; I1017-K1021 WeakPolarHBondContact O-CG 3.43Å; I1017-K1021 PolarHBondContact O-N 2.88Å; I1017-L1040 HydrophobicContact CD1-CD2 4.06Å; I1017-L1040 HydrophobicContact CG1-CD2 3.83Å; I1017-F1044 HydrophobicContact CD1-CB 4.05Å; I1017-F1044 HydrophobicContact CD1-CD1 3.97Å; I1017-F1044 HydrophobicContact CD1-CG 3.91Å |
| 1018 | H | 76 | Confident | 67.1 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 178 | -169.4 | -81.2 | 0 | 0 | 0 | 112 | A1014 E1015 I1016 Q1020 K1021 Q1022 | A1014-H1018 VanDerWaalsContact O-CB 3.27Å; A1014-H1018 WeakPolarHBondContact O-CB 3.4Å; A1014-H1018 PolarHBondContact O-N 2.74Å; E1015-H1018 PolarHBondContact O-N 3.24Å; I1016-H1018 VanDerWaalsContact C-N 3.3Å; I1016-H1018 PolarHBondContact O-N 2.94Å; H1018-Q1020 PolarHBondContact O-N 3.19Å; H1018-K1021 PolarHBondContact O-N 2.99Å; H1018-Q1022 PolarHBondContact CE1-NE2 3.42Å; H1018-Q1022 PolarHBondContact CE1-OE1 3.32Å; H1018-Q1022 VanDerWaalsContact CE1-OE1 3.26Å; H1018-Q1022 PolarHBondContact ND1-OE1 3.3Å; H1018-Q1022 PolarHBondContact O-N 2.94Å |
| 1019 | A | 71.2 | Confident | 64.9 | Low | 39 Ų | 39 | 89.1 Ų | 89.1 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1015 I1016 K1021 Q1022 H1023 | E1015-A1019 WeakPolarHBondContact O-CB 3.28Å; E1015-A1019 PolarHBondContact O-N 2.95Å; I1016-A1019 PolarHBondContact O-N 3.42Å; A1019-K1021 VanDerWaalsContact C-N 3.3Å; A1019-K1021 PolarHBondContact O-N 2.98Å; A1019-Q1022 PolarHBondContact O-N 3.44Å; A1019-Q1022 VanDerWaalsContact O-N 3.13Å; A1019-H1023 PolarHBondContact O-CD2 3.47Å; A1019-H1023 PolarHBondContact O-N 2.98Å |
| 1020 | Q | 65.8 | Low | 63.1 | Low | 62 Ų | 62 | 93.9 Ų | 93.9 | 29% | 0.29 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 179 | -70.3 | -70.9 | -44.6 | 0 | 0 | 113 | I1016 H1018 Q1022 L1037 | I1016-Q1020 WeakPolarHBondContact O-CG 3.46Å; I1016-Q1020 PolarHBondContact O-N 3.12Å; H1018-Q1020 PolarHBondContact O-N 3.19Å; Q1020-Q1022 VanDerWaalsContact C-N 3.34Å; Q1020-L1037 HydrophobicContact CB-CD1 4.39Å |
| 1021 | K | 64.6 | Low | 61.4 | Low | 131 Ų | 131 | 100.1 Ų | 100.1 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.4 | -15.1 | 175.1 | -77 | -178 | 176.2 | -179.7 | 0 | 114.7 | I1017 H1018 A1019 H1041 | I1017-K1021 HydrophobicContact CG2-CD 4.29Å; I1017-K1021 WeakPolarHBondContact O-CG 3.43Å; I1017-K1021 PolarHBondContact O-N 2.88Å; H1018-K1021 PolarHBondContact O-N 2.99Å; A1019-K1021 VanDerWaalsContact C-N 3.3Å; A1019-K1021 PolarHBondContact O-N 2.98Å; K1021-H1041 PolarHBondContact NZ-CD2 2.71Å; K1021-H1041 PolarHBondContact NZ-NE2 3.34Å |
| 1022 | Q | 59.2 | Low | 60.2 | Low | 136 Ų | 136 | 95.8 Ų | 95.8 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -101.5 | -17.4 | 179.4 | -71.3 | -168.2 | -41.5 | 0 | 0 | 114.3 | H1018 A1019 Q1020 S1024 | H1018-Q1022 PolarHBondContact CE1-NE2 3.42Å; H1018-Q1022 PolarHBondContact CE1-OE1 3.32Å; H1018-Q1022 VanDerWaalsContact CE1-OE1 3.26Å; H1018-Q1022 PolarHBondContact ND1-OE1 3.3Å; H1018-Q1022 PolarHBondContact O-N 2.94Å; A1019-Q1022 PolarHBondContact O-N 3.44Å; A1019-Q1022 VanDerWaalsContact O-N 3.13Å; Q1020-Q1022 VanDerWaalsContact C-N 3.34Å; Q1022-S1024 VanDerWaalsContact C-N 3.32Å; Q1022-S1024 PolarHBondContact O-N 3.39Å |
| 1023 | H | 54 | Low | 59.4 | Low | 137 Ų | 137 | 97.4 Ų | 97.4 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | trans | -88 | 20.4 | -174.9 | -80.7 | -61.5 | 0 | 0 | 0 | 115.4 | A1019 E1025 | A1019-H1023 PolarHBondContact O-CD2 3.47Å; A1019-H1023 PolarHBondContact O-N 2.98Å; H1023-E1025 VanDerWaalsContact C-N 3.26Å; H1023-E1025 PolarHBondContact O-N 2.87Å | ||
| 1024 | S | 48.9 | Very low | 58.8 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -74.2 | 0.2 | -174.5 | 54.9 | 0 | 0 | 0 | 0 | 116.3 | Q1022 | Q1022-S1024 VanDerWaalsContact C-N 3.32Å; Q1022-S1024 PolarHBondContact O-N 3.39Å |
| 1025 | E | 44.7 | Very low | 58.5 | Low | 169 Ų | 169 | 103.4 Ų | 103.4 | 79% | 0.79 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -125.5 | -13.8 | -170.7 | -69.4 | -167.6 | 154.8 | 0 | 0 | 117.8 | H1023 | H1023-E1025 VanDerWaalsContact C-N 3.26Å; H1023-E1025 PolarHBondContact O-N 2.87Å |
| 1026 | N | 39.6 | Very low | 58.2 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 78% | 0.775 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -150.2 | 133.3 | 177.1 | -81.9 | -67 | 0 | 0 | 0 | 115.8 | ||
| 1027 | E | 36.6 | Very low | 58.3 | Low | 182 Ų | 182 | 100.2 Ų | 100.2 | 85% | 0.85 | 56% | 0.556 | S | S | * | * | trans | 17.9 | 113.9 | 167.8 | -62.4 | -168.8 | 147.3 | 0 | 0 | 123.2 | ||||
| 1028 | V | 32.9 | Very low | 58.5 | Low | 136 Ų | 136 | 104.6 Ų | 104.6 | 82% | 0.824 | 58% | 0.579 | S | S | * | * | trans | 55.8 | 89.8 | 138.9 | -164.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1029 | S | 37 | Very low | 58.8 | Low | 108 Ų | 108 | 106.8 Ų | 106.8 | 76% | 0.755 | 58% | 0.583 | S | S | * | * | S | Bend | -179.7 | 144.7 | 114.5 | 45 | 0 | 0 | 0 | 0 | 112.4 | |||
| 1030 | C | 47.9 | Very low | 59.4 | Low | 102 Ų | 102 | 105.3 Ų | 105.3 | 69% | 0.689 | 57% | 0.569 | S | S | * | * | trans | 59.7 | 80.8 | -177.4 | -63.5 | 0 | 0 | 0 | 0 | 116.4 | V1032 | C1030-V1032 PolarHBondContact O-N 2.7Š| ||
| 1031 | V | 49.7 | Very low | 60.2 | Low | 147 Ų | 147 | 105.1 Ų | 105.1 | 89% | 0.891 | 57% | 0.569 | S | S | * | * | trans | -74.8 | 115.8 | 160.6 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1032 | V | 59.9 | Low | 61.2 | Low | 33 Ų | 33 | 103.2 Ų | 103.2 | 20% | 0.2 | 57% | 0.57 | C | S | . | * | trans | -95.4 | 135 | 168.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | C1030 S1034 L1036 | C1030-V1032 PolarHBondContact O-N 2.7Å; V1032-S1034 PolarHBondContact O-N 2.92Å; V1032-L1036 HydrophobicContact CG1-CB 4.29Å | ||
| 1033 | D | 64.4 | Low | 62.5 | Low | 110 Ų | 110 | 98 Ų | 98 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | trans | -54.6 | 130.4 | 177.2 | -84.1 | -28.1 | 0 | 0 | 0 | 111.6 | S1035 L1036 L1037 | D1033-S1035 PolarHBondContact O-N 3.27Å; D1033-S1035 VanDerWaalsContact O-N 3.17Å; D1033-L1036 HydrophobicContact CB-CB 4.08Å; D1033-L1036 WeakPolarHBondContact O-CA 3.39Å; D1033-L1036 VanDerWaalsContact O-CB 3.32Å; D1033-L1036 WeakPolarHBondContact O-CB 3.09Å; D1033-L1036 PolarHBondContact O-N 2.99Å; D1033-L1037 PolarHBondContact O-N 2.77Å | ||
| 1034 | S | 68.9 | Low | 64.1 | Low | 84 Ų | 84 | 92.1 Ų | 92.1 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.8 | -40.1 | -178.4 | -169.3 | 0 | 0 | 0 | 0 | 112.6 | V1032 L1036 L1037 D1038 | V1032-S1034 PolarHBondContact O-N 2.92Å; S1034-L1036 VanDerWaalsContact C-N 3.28Å; S1034-L1036 PolarHBondContact O-N 3.07Å; S1034-L1037 PolarHBondContact O-N 3.07Å; S1034-D1038 PolarHBondContact O-N 2.9Å |
| 1035 | S | 74.9 | Confident | 65.8 | Low | 81 Ų | 81 | 90.4 Ų | 90.4 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -28.8 | 178 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | D1033 R1039 | D1033-S1035 PolarHBondContact O-N 3.27Å; D1033-S1035 VanDerWaalsContact O-N 3.17Å; S1035-R1039 VanDerWaalsContact O-CG 3.26Å; S1035-R1039 WeakPolarHBondContact O-CG 3.35Å; S1035-R1039 PolarHBondContact O-N 2.95Å |
| 1036 | L | 74.9 | Confident | 67.8 | Low | 37 Ų | 37 | 88.8 Ų | 88.8 | 19% | 0.194 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -78.4 | -38.3 | 175.4 | -127.6 | 172.9 | 0 | 0 | 0 | 110.3 | V1032 D1033 S1034 R1039 L1040 | V1032-L1036 HydrophobicContact CG1-CB 4.29Å; D1033-L1036 HydrophobicContact CB-CB 4.08Å; D1033-L1036 WeakPolarHBondContact O-CA 3.39Å; D1033-L1036 VanDerWaalsContact O-CB 3.32Å; D1033-L1036 WeakPolarHBondContact O-CB 3.09Å; D1033-L1036 PolarHBondContact O-N 2.99Å; S1034-L1036 VanDerWaalsContact C-N 3.28Å; S1034-L1036 PolarHBondContact O-N 3.07Å; L1036-R1039 PolarHBondContact O-N 3.48Å; L1036-L1040 VanDerWaalsContact O-CB 3.31Å; L1036-L1040 WeakPolarHBondContact O-CB 3.42Å; L1036-L1040 PolarHBondContact O-N 3.31Å |
| 1037 | L | 78.2 | Confident | 70 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.1 | -173.1 | 65 | 0 | 0 | 0 | 111.9 | Q1020 D1033 S1034 L1040 H1041 | Q1020-L1037 HydrophobicContact CB-CD1 4.39Å; D1033-L1037 PolarHBondContact O-N 2.77Å; S1034-L1037 PolarHBondContact O-N 3.07Å; L1037-L1040 PolarHBondContact O-N 3.03Å; L1037-H1041 WeakPolarHBondContact O-CB 3.23Å; L1037-H1041 PolarHBondContact O-N 3.17Å |
| 1038 | D | 79.5 | Confident | 72.4 | Confident | 103 Ų | 103 | 78.7 Ų | 78.7 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 176 | -71.2 | -33.1 | 0 | 0 | 0 | 112 | S1034 H1041 C1042 | S1034-D1038 PolarHBondContact O-N 2.9Å; D1038-H1041 PolarHBondContact O-N 3.28Å; D1038-C1042 WeakPolarHBondContact O-CB 3.14Å; D1038-C1042 PolarHBondContact O-N 2.55Å |
| 1039 | R | 82.2 | Confident | 74.8 | Confident | 156 Ų | 156 | 75.1 Ų | 75.1 | 59% | 0.589 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 174.5 | -75.1 | 177.3 | 67.9 | -167.7 | -0.1 | 112.1 | S1035 L1036 C1042 Q1043 | S1035-R1039 VanDerWaalsContact O-CG 3.26Å; S1035-R1039 WeakPolarHBondContact O-CG 3.35Å; S1035-R1039 PolarHBondContact O-N 2.95Å; L1036-R1039 PolarHBondContact O-N 3.48Å; R1039-C1042 PolarHBondContact O-N 3.2Å; R1039-Q1043 WeakPolarHBondContact O-CB 3.46Å; R1039-Q1043 PolarHBondContact O-N 3Å |
| 1040 | L | 82.8 | Confident | 77.1 | Confident | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.9 | -170.4 | 108.8 | 0 | 0 | 0 | 110.9 | L983 M984 L989 V1013 I1017 L1036 L1037 F1044 | L983-L1040 HydrophobicContact CB-CD1 4.41Å; M984-L1040 HydrophobicContact CG-CD1 4.05Å; L989-L1040 HydrophobicContact CD1-CD1 3.92Å; L989-L1040 HydrophobicContact CD1-CD2 4.26Å; V1013-L1040 HydrophobicContact CG1-CD2 4.29Å; I1017-L1040 HydrophobicContact CD1-CD2 4.06Å; I1017-L1040 HydrophobicContact CG1-CD2 3.83Å; L1036-L1040 VanDerWaalsContact O-CB 3.31Å; L1036-L1040 WeakPolarHBondContact O-CB 3.42Å; L1036-L1040 PolarHBondContact O-N 3.31Å; L1037-L1040 PolarHBondContact O-N 3.03Å; L1040-F1044 WeakPolarHBondContact O-CB 3.28Å; L1040-F1044 PolarHBondContact O-N 3.33Å |
| 1041 | H | 84.3 | Confident | 78.9 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 177.2 | -165.6 | -55.2 | 0 | 0 | 0 | 112.4 | K1021 L1037 D1038 F1044 E1045 | K1021-H1041 PolarHBondContact NZ-CD2 2.71Å; K1021-H1041 PolarHBondContact NZ-NE2 3.34Å; L1037-H1041 WeakPolarHBondContact O-CB 3.23Å; L1037-H1041 PolarHBondContact O-N 3.17Å; D1038-H1041 PolarHBondContact O-N 3.28Å; H1041-F1044 PolarHBondContact O-N 2.92Å; H1041-E1045 PolarHBondContact O-N 2.91Å |
| 1042 | C | 84.4 | Confident | 80.4 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.4 | -47.6 | 176.9 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | D1038 R1039 F1044 E1045 R1046 | D1038-C1042 WeakPolarHBondContact O-CB 3.14Å; D1038-C1042 PolarHBondContact O-N 2.55Å; R1039-C1042 PolarHBondContact O-N 3.2Å; C1042-F1044 VanDerWaalsContact C-N 3.33Å; C1042-F1044 PolarHBondContact O-N 2.93Å; C1042-E1045 PolarHBondContact O-N 3.24Å; C1042-R1046 PolarHBondContact O-N 2.98Å |
| 1043 | Q | 86.8 | Confident | 81.3 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.7 | -32 | 176.9 | -172.4 | 60.7 | 21.5 | 0 | 0 | 112 | D976 L980 L983 R1039 T1047 | D976-Q1043 PolarHBondContact O-NE2 2.99Å; L980-Q1043 HydrophobicContact CB-CG 4.34Å; L980-Q1043 HydrophobicContact CD1-CB 4.39Å; L980-Q1043 HydrophobicContact CD1-CG 4.25Å; L983-Q1043 HydrophobicContact CD1-CB 3.49Å; L983-Q1043 VanDerWaalsContact CD1-CB 3.49Å; L983-Q1043 HydrophobicContact CD1-CG 3.73Å; R1039-Q1043 WeakPolarHBondContact O-CB 3.46Å; R1039-Q1043 PolarHBondContact O-N 3Å; Q1043-T1047 VanDerWaalsContact O-CB 3.27Å; Q1043-T1047 WeakPolarHBondContact O-CB 3.29Å; Q1043-T1047 PolarHBondContact O-N 2.98Å; Q1043-T1047 PolarHBondContact O-OG1 3.23Å |
| 1044 | F | 87.9 | Confident | 82.2 | Confident | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -52.1 | 173 | 168.5 | -102.3 | 0 | 0 | 0 | 111.5 | L980 L1010 V1013 A1014 I1017 L1040 H1041 C1042 R1046 T1047 R1048 | L980-F1044 HydrophobicContact CD1-CB 4.32Å; L1010-F1044 HydrophobicContact CB-CE2 4.09Å; L1010-F1044 HydrophobicContact CD2-CD2 3.64Å; L1010-F1044 HydrophobicContact CD2-CE2 3.59Å; L1010-F1044 HydrophobicContact CG-CE2 4.45Å; L1010-F1044 WeakPolarHBondContact O-CE2 3.3Å; V1013-F1044 HydrophobicContact CB-CD2 3.88Å; V1013-F1044 HydrophobicContact CB-CE2 4.2Å; V1013-F1044 HydrophobicContact CG1-CB 4.1Å; V1013-F1044 HydrophobicContact CG1-CD2 3.45Å; V1013-F1044 VanDerWaalsContact CG1-CD2 3.45Å; V1013-F1044 HydrophobicContact CG1-CE2 4.16Å; V1013-F1044 HydrophobicContact CG1-CG 3.96Å; A1014-F1044 HydrophobicContact CB-CE2 4.3Å; A1014-F1044 HydrophobicContact CB-CZ 3.91Å; I1017-F1044 HydrophobicContact CD1-CB 4.05Å; I1017-F1044 HydrophobicContact CD1-CD1 3.97Å; I1017-F1044 HydrophobicContact CD1-CG 3.91Å; L1040-F1044 WeakPolarHBondContact O-CB 3.28Å; L1040-F1044 PolarHBondContact O-N 3.33Å; H1041-F1044 PolarHBondContact O-N 2.92Å; C1042-F1044 VanDerWaalsContact C-N 3.33Å; C1042-F1044 PolarHBondContact O-N 2.93Å; F1044-R1046 PolarHBondContact O-N 3.15Å; F1044-T1047 PolarHBondContact O-N 3.19Å; F1044-R1048 VanDerWaalsContact O-CB 3.32Å; F1044-R1048 WeakPolarHBondContact O-CB 3.5Å; F1044-R1048 PolarHBondContact O-N 3.07Å |
| 1045 | E | 83.7 | Confident | 82.9 | Confident | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 178.6 | -72.3 | -60 | 153.1 | 0 | 0 | 111.8 | H1041 C1042 R1048 T1049 | H1041-E1045 PolarHBondContact O-N 2.91Å; C1042-E1045 PolarHBondContact O-N 3.24Å; E1045-R1048 WeakPolarHBondContact O-CB 3.41Å; E1045-R1048 PolarHBondContact O-N 2.73Å; E1045-R1048 IonicContact OE1-NH1 3.09Å; E1045-R1048 PolarHBondContact OE1-NH1 3.44Å; E1045-R1048 IonicContact OE2-NH1 3.2Å; E1045-T1049 WeakPolarHBondContact O-CG2 3.48Å; E1045-T1049 PolarHBondContact O-N 2.83Å |
| 1046 | R | 87.1 | Confident | 82.8 | Confident | 135 Ų | 135 | 54.2 Ų | 54.2 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.4 | -52.8 | 171.7 | 175.9 | 175.8 | 161.6 | 153.3 | -2.2 | 111.9 | D976 C1042 F1044 R1048 T1049 T1050 | D976-R1046 IonicContact OD1-CZ 3.29Å; D976-R1046 IonicContact OD1-NE 3.97Å; D976-R1046 PolarHBondContact OD1-NE 3.28Å; D976-R1046 IonicContact OD1-NH2 2.69Å; D976-R1046 PolarHBondContact OD1-NH2 3.32Å; D976-R1046 IonicContact OD2-NE 3.04Å; C1042-R1046 PolarHBondContact O-N 2.98Å; F1044-R1046 PolarHBondContact O-N 3.15Å; R1046-R1048 VanDerWaalsContact C-N 3.26Å; R1046-R1048 PolarHBondContact O-N 2.9Å; R1046-T1049 PolarHBondContact O-N 3.4Å; R1046-T1049 VanDerWaalsContact O-N 3.11Å; R1046-T1049 PolarHBondContact O-OG1 2.98Å; R1046-T1050 PolarHBondContact O-N 3.28Å; R1046-T1050 VanDerWaalsContact O-N 3.07Å; R1046-T1050 PolarHBondContact O-OG1 2.99Å |
| 1047 | T | 87.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | D976 C977 L980 L1010 Q1043 F1044 T1050 V1051 | D976-T1047 HydrophobicContact CB-CG2 4.2Å; D976-T1047 PolarHBondContact O-OG1 3.37Å; C977-T1047 HydrophobicContact CB-CG2 4.32Å; C977-T1047 WeakPolarHBondContact SG-CG2 3.29Å; L980-T1047 HydrophobicContact CD2-CG2 4.08Å; L1010-T1047 HydrophobicContact CD2-CG2 4.03Å; Q1043-T1047 VanDerWaalsContact O-CB 3.27Å; Q1043-T1047 WeakPolarHBondContact O-CB 3.29Å; Q1043-T1047 PolarHBondContact O-N 2.98Å; Q1043-T1047 PolarHBondContact O-OG1 3.23Å; F1044-T1047 PolarHBondContact O-N 3.19Å; T1047-T1050 PolarHBondContact O-N 3.33Å; T1047-T1050 PolarHBondContact O-OG1 3.43Å; T1047-V1051 HydrophobicContact CG2-CG2 4.47Å; T1047-V1051 WeakPolarHBondContact O-CB 3.26Å; T1047-V1051 VanDerWaalsContact O-CG2 3.26Å; T1047-V1051 WeakPolarHBondContact O-CG2 3.43Å; T1047-V1051 PolarHBondContact O-N 3.45Å |
| 1048 | R | 86.8 | Confident | 82.9 | Confident | 115 Ų | 115 | 52.7 Ų | 52.7 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 172.9 | -177.1 | -176.5 | -178.1 | 176.8 | 3.8 | 111.1 | L1010 F1044 E1045 R1046 T1050 V1051 D1052 | L1010-R1048 HydrophobicContact CD1-CB 4.3Å; L1010-R1048 HydrophobicContact CD2-CB 4.31Å; F1044-R1048 VanDerWaalsContact O-CB 3.32Å; F1044-R1048 WeakPolarHBondContact O-CB 3.5Å; F1044-R1048 PolarHBondContact O-N 3.07Å; E1045-R1048 WeakPolarHBondContact O-CB 3.41Å; E1045-R1048 PolarHBondContact O-N 2.73Å; E1045-R1048 IonicContact OE1-NH1 3.09Å; E1045-R1048 PolarHBondContact OE1-NH1 3.44Å; E1045-R1048 IonicContact OE2-NH1 3.2Å; R1046-R1048 VanDerWaalsContact C-N 3.26Å; R1046-R1048 PolarHBondContact O-N 2.9Å; R1048-T1050 VanDerWaalsContact C-N 3.3Å; R1048-T1050 PolarHBondContact O-N 3.35Å; R1048-V1051 PolarHBondContact O-N 3Å; R1048-D1052 WeakPolarHBondContact O-CB 3.39Å; R1048-D1052 PolarHBondContact O-N 3.16Å |
| 1049 | T | 83.4 | Confident | 82.8 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 178.4 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | E1045 R1046 H1053 | E1045-T1049 WeakPolarHBondContact O-CG2 3.48Å; E1045-T1049 PolarHBondContact O-N 2.83Å; R1046-T1049 PolarHBondContact O-N 3.4Å; R1046-T1049 VanDerWaalsContact O-N 3.11Å; R1046-T1049 PolarHBondContact O-OG1 2.98Å; T1049-H1053 VanDerWaalsContact O-CB 3.28Å; T1049-H1053 WeakPolarHBondContact O-CB 3.45Å; T1049-H1053 PolarHBondContact O-N 3.42Å |
| 1050 | T | 85.1 | Confident | 82.4 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.9 | -33.7 | 178.1 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | L972 D976 R1046 T1047 R1048 C1054 | L972-T1050 HydrophobicContact CD2-CG2 4.2Å; L972-T1050 HydrophobicContact CG-CG2 4.48Å; D976-T1050 WeakPolarHBondContact OD2-CB 3.14Å; D976-T1050 WeakPolarHBondContact OD2-CG2 3.33Å; D976-T1050 PolarHBondContact OD2-OG1 2.98Å; R1046-T1050 PolarHBondContact O-N 3.28Å; R1046-T1050 VanDerWaalsContact O-N 3.07Å; R1046-T1050 PolarHBondContact O-OG1 2.99Å; T1047-T1050 PolarHBondContact O-N 3.33Å; T1047-T1050 PolarHBondContact O-OG1 3.43Å; R1048-T1050 VanDerWaalsContact C-N 3.3Å; R1048-T1050 PolarHBondContact O-N 3.35Å; T1050-C1054 WeakPolarHBondContact O-CB 3.27Å; T1050-C1054 PolarHBondContact O-N 2.87Å |
| 1051 | V | 85.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -46.1 | 169 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | M973 C1006 K1007 L1010 T1047 R1048 C1054 L1055 | M973-V1051 HydrophobicContact CG-CB 4.4Å; M973-V1051 HydrophobicContact CG-CG2 3.56Å; M973-V1051 HydrophobicContact SD-CB 4.49Å; M973-V1051 HydrophobicContact SD-CG2 3.96Å; C1006-V1051 HydrophobicContact CB-CG1 4.49Å; C1006-V1051 HydrophobicContact CB-CG2 3.83Å; K1007-V1051 HydrophobicContact CG-CG1 4.32Å; L1010-V1051 HydrophobicContact CD1-CB 3.86Å; L1010-V1051 HydrophobicContact CD1-CG1 3.99Å; L1010-V1051 HydrophobicContact CD1-CG2 3.83Å; T1047-V1051 HydrophobicContact CG2-CG2 4.47Å; T1047-V1051 WeakPolarHBondContact O-CB 3.26Å; T1047-V1051 VanDerWaalsContact O-CG2 3.26Å; T1047-V1051 WeakPolarHBondContact O-CG2 3.43Å; T1047-V1051 PolarHBondContact O-N 3.45Å; R1048-V1051 PolarHBondContact O-N 3Å; V1051-C1054 PolarHBondContact O-N 3.05Å; V1051-L1055 WeakPolarHBondContact O-CB 3.31Å; V1051-L1055 PolarHBondContact O-N 3.2Å |
| 1052 | D | 81.8 | Confident | 81.9 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.7 | -38 | 179 | -73.7 | -26.5 | 0 | 0 | 0 | 111.7 | R1048 L1055 T1056 | R1048-D1052 WeakPolarHBondContact O-CB 3.39Å; R1048-D1052 PolarHBondContact O-N 3.16Å; D1052-L1055 PolarHBondContact O-N 3.38Å; D1052-T1056 WeakPolarHBondContact O-CB 3.5Å; D1052-T1056 PolarHBondContact O-N 3.43Å; D1052-T1056 PolarHBondContact O-OG1 2.67Å |
| 1053 | H | 78.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.222 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 172.2 | 177.2 | 63 | 0 | 0 | 0 | 112.1 | T1049 L1055 T1056 L1057 | T1049-H1053 VanDerWaalsContact O-CB 3.28Å; T1049-H1053 WeakPolarHBondContact O-CB 3.45Å; T1049-H1053 PolarHBondContact O-N 3.42Å; H1053-L1055 VanDerWaalsContact C-N 3.33Å; H1053-L1055 PolarHBondContact O-N 3.35Å; H1053-T1056 PolarHBondContact O-N 2.89Å; H1053-L1057 PolarHBondContact O-N 3.31Å |
| 1054 | C | 82.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 178.3 | -171.1 | 0 | 0 | 0 | 0 | 112 | M973 T1050 V1051 Q1058 | M973-C1054 HydrophobicContact SD-CB 4.08Å; T1050-C1054 WeakPolarHBondContact O-CB 3.27Å; T1050-C1054 PolarHBondContact O-N 2.87Å; V1051-C1054 PolarHBondContact O-N 3.05Å; C1054-Q1058 PolarHBondContact O-N 3.37Å; C1054-Q1058 VanDerWaalsContact O-N 3.08Å |
| 1055 | L | 82.3 | Confident | 80.7 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -45.4 | 175.8 | -176 | 75.4 | 0 | 0 | 0 | 111.9 | I1003 V1051 D1052 H1053 L1057 Q1058 L1059 | I1003-L1055 HydrophobicContact CG2-CD1 4.22Å; V1051-L1055 WeakPolarHBondContact O-CB 3.31Å; V1051-L1055 PolarHBondContact O-N 3.2Å; D1052-L1055 PolarHBondContact O-N 3.38Å; H1053-L1055 VanDerWaalsContact C-N 3.33Å; H1053-L1055 PolarHBondContact O-N 3.35Å; L1055-L1057 VanDerWaalsContact C-N 3.33Å; L1055-L1057 PolarHBondContact O-N 3.09Å; L1055-Q1058 PolarHBondContact O-N 3.24Å; L1055-L1059 HydrophobicContact CG-CD1 4.31Å; L1055-L1059 WeakPolarHBondContact O-CG 3.45Å; L1055-L1059 PolarHBondContact O-N 3.16Å |
| 1056 | T | 73.5 | Confident | 80.7 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 111 | D1052 H1053 L1059 Y1060 V1098 P1100 | D1052-T1056 WeakPolarHBondContact O-CB 3.5Å; D1052-T1056 PolarHBondContact O-N 3.43Å; D1052-T1056 PolarHBondContact O-OG1 2.67Å; H1053-T1056 PolarHBondContact O-N 2.89Å; T1056-L1059 PolarHBondContact O-N 3.34Å; T1056-Y1060 VanDerWaalsContact O-CB 3.29Å; T1056-Y1060 WeakPolarHBondContact O-CB 3.23Å; T1056-Y1060 PolarHBondContact O-N 2.92Å; T1056-V1098 HydrophobicContact CG2-CG1 4.08Å; T1056-P1100 HydrophobicContact CG2-CB 4.02Å |
| 1057 | L | 75.2 | Confident | 80.4 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.1 | -172.8 | 67 | 0 | 0 | 0 | 112.5 | P969 H1053 L1055 Y1060 L1061 | P969-L1057 HydrophobicContact CB-CD2 4.42Å; P969-L1057 HydrophobicContact CG-CD2 3.74Å; H1053-L1057 PolarHBondContact O-N 3.31Å; L1055-L1057 VanDerWaalsContact C-N 3.33Å; L1055-L1057 PolarHBondContact O-N 3.09Å; L1057-Y1060 HydrophobicContact CD1-CD1 4.49Å; L1057-Y1060 PolarHBondContact O-N 3.22Å; L1057-L1061 HydrophobicContact CG-CD1 4.34Å; L1057-L1061 WeakPolarHBondContact O-CG 3.49Å; L1057-L1061 PolarHBondContact O-N 3.1Å |
| 1058 | Q | 80.4 | Confident | 80 | Confident | 32 Ų | 32 | 34.2 Ų | 34.2 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 175.5 | -174.5 | 174.9 | 8.1 | 0 | 0 | 111.8 | I966 C1054 L1055 Y1060 L1061 G1062 | I966-Q1058 HydrophobicContact CD1-CB 3.78Å; I966-Q1058 HydrophobicContact CD1-CG 3.8Å; C1054-Q1058 PolarHBondContact O-N 3.37Å; C1054-Q1058 VanDerWaalsContact O-N 3.08Å; L1055-Q1058 PolarHBondContact O-N 3.24Å; Q1058-Y1060 VanDerWaalsContact C-N 3.32Å; Q1058-Y1060 PolarHBondContact O-N 2.96Å; Q1058-L1061 PolarHBondContact O-N 3.08Å; Q1058-G1062 PolarHBondContact O-N 3.08Å |
| 1059 | L | 77.6 | Confident | 79.8 | Confident | 101 Ų | 101 | 28.7 Ų | 28.7 | 53% | 0.529 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.2 | -68.7 | 170 | 0 | 0 | 0 | 111.4 | L1055 T1056 G1062 N1063 | L1055-L1059 HydrophobicContact CG-CD1 4.31Å; L1055-L1059 WeakPolarHBondContact O-CG 3.45Å; L1055-L1059 PolarHBondContact O-N 3.16Å; T1056-L1059 PolarHBondContact O-N 3.34Å; L1059-G1062 PolarHBondContact O-N 3.45Å; L1059-N1063 WeakPolarHBondContact O-CB 3.39Å; L1059-N1063 PolarHBondContact O-N 3.21Å; L1059-N1063 PolarHBondContact O-OD1 2.93Å |
| 1060 | Y | 74.1 | Confident | 79.7 | Confident | 31 Ų | 31 | 25.8 Ų | 25.8 | 12% | 0.122 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 178.1 | -176.2 | -107 | 0 | 0 | 0 | 113.1 | T1056 L1057 Q1058 R1064 | T1056-Y1060 VanDerWaalsContact O-CB 3.29Å; T1056-Y1060 WeakPolarHBondContact O-CB 3.23Å; T1056-Y1060 PolarHBondContact O-N 2.92Å; L1057-Y1060 HydrophobicContact CD1-CD1 4.49Å; L1057-Y1060 PolarHBondContact O-N 3.22Å; Q1058-Y1060 VanDerWaalsContact C-N 3.32Å; Q1058-Y1060 PolarHBondContact O-N 2.96Å; Y1060-R1064 VanDerWaalsContact CE1-NE 3.3Å; Y1060-R1064 PolarHBondContact O-N 3.5Å; Y1060-R1064 VanDerWaalsContact O-N 3.14Å; Y1060-R1064 PolarHBondContact OH-NE 3.04Å; Y1060-R1064 PolarHBondContact OH-NH2 2.71Å |
| 1061 | L | 75.7 | Confident | 79.4 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 176.5 | -71.3 | 174.1 | 0 | 0 | 0 | 112 | A847 Y963 E965 I966 L1057 Q1058 R1064 V1065 | A847-L1061 HydrophobicContact CB-CB 4.02Å; A847-L1061 HydrophobicContact CB-CD2 3.95Å; A847-L1061 HydrophobicContact CB-CG 4.39Å; Y963-L1061 HydrophobicContact CD2-CB 3.69Å; Y963-L1061 HydrophobicContact CD2-CD1 4.44Å; Y963-L1061 HydrophobicContact CE2-CB 4.05Å; Y963-L1061 HydrophobicContact CG-CB 4.4Å; E965-L1061 HydrophobicContact CB-CD1 3.94Å; I966-L1061 HydrophobicContact CD1-CD1 4.12Å; I966-L1061 HydrophobicContact CG1-CD1 3.58Å; L1057-L1061 HydrophobicContact CG-CD1 4.34Å; L1057-L1061 WeakPolarHBondContact O-CG 3.49Å; L1057-L1061 PolarHBondContact O-N 3.1Å; Q1058-L1061 PolarHBondContact O-N 3.08Å; L1061-R1064 PolarHBondContact O-N 3.09Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.37Å; L1061-V1065 PolarHBondContact O-N 2.72Å; L1061-V1065 VanDerWaalsContact O-N 3.13Å |
| 1062 | G | 79.9 | Confident | 79 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.5 | -54.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1058 L1059 R1064 V1065 E1066 | Q1058-G1062 PolarHBondContact O-N 3.08Å; L1059-G1062 PolarHBondContact O-N 3.45Å; G1062-R1064 VanDerWaalsContact C-N 3.28Å; G1062-R1064 PolarHBondContact O-N 3.5Å; G1062-V1065 PolarHBondContact O-N 2.94Å; G1062-E1066 WeakPolarHBondContact O-CG 3.38Å; G1062-E1066 PolarHBondContact O-N 3.44Å |
| 1063 | N | 76.8 | Confident | 78.8 | Confident | 36 Ų | 36 | 21.5 Ų | 21.5 | 19% | 0.193 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.3 | -38.6 | 179.3 | -69.4 | 3.3 | 0 | 0 | 0 | 112.5 | L1059 L1067 | L1059-N1063 WeakPolarHBondContact O-CB 3.39Å; L1059-N1063 PolarHBondContact O-N 3.21Å; L1059-N1063 PolarHBondContact O-OD1 2.93Å; N1063-L1067 VanDerWaalsContact O-CB 3.22Å; N1063-L1067 WeakPolarHBondContact O-CB 3.46Å; N1063-L1067 PolarHBondContact O-N 3.17Å |
| 1064 | R | 77.2 | Confident | 78.5 | Confident | 21 Ų | 21 | 19.2 Ų | 19.2 | 8% | 0.079 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 173.9 | -79.4 | -175.9 | 173.2 | -169.1 | 2.9 | 111.7 | F851 Y1060 L1061 G1062 L1067 G1068 | F851-R1064 HydrophobicContact CD2-CB 4.43Å; F851-R1064 WeakPolarHBondContact CD2-O 3.01Å; Y1060-R1064 VanDerWaalsContact CE1-NE 3.3Å; Y1060-R1064 PolarHBondContact O-N 3.5Å; Y1060-R1064 VanDerWaalsContact O-N 3.14Å; Y1060-R1064 PolarHBondContact OH-NE 3.04Å; Y1060-R1064 PolarHBondContact OH-NH2 2.71Å; L1061-R1064 PolarHBondContact O-N 3.09Å; G1062-R1064 VanDerWaalsContact C-N 3.28Å; G1062-R1064 PolarHBondContact O-N 3.5Å; R1064-L1067 WeakPolarHBondContact O-CB 3.42Å; R1064-L1067 PolarHBondContact O-N 3.42Å; R1064-G1068 PolarHBondContact O-N 3.18Å; R1064-G1068 VanDerWaalsContact O-N 3.09Å |
| 1065 | V | 79.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | A847 R850 Y963 L1061 G1062 L1067 G1068 I1069 | A847-V1065 HydrophobicContact CB-CG2 3.85Å; A847-V1065 VanDerWaalsContact O-CG2 3.26Å; A847-V1065 WeakPolarHBondContact O-CG2 3.49Å; R850-V1065 HydrophobicContact CB-CG1 3.72Å; R850-V1065 HydrophobicContact CB-CG2 4.04Å; Y963-V1065 HydrophobicContact CE1-CG2 4.04Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.37Å; L1061-V1065 PolarHBondContact O-N 2.72Å; L1061-V1065 VanDerWaalsContact O-N 3.13Å; G1062-V1065 PolarHBondContact O-N 2.94Å; V1065-L1067 VanDerWaalsContact C-N 3.33Å; V1065-L1067 PolarHBondContact O-N 3.34Å; V1065-G1068 PolarHBondContact O-N 3.05Å; V1065-I1069 HydrophobicContact CG1-CD1 3.77Å; V1065-I1069 WeakPolarHBondContact O-CD1 3.47Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.29Å; V1065-I1069 PolarHBondContact O-N 3.01Å |
| 1066 | E | 83.4 | Confident | 77.1 | Confident | 57 Ų | 57 | 18.9 Ų | 18.9 | 27% | 0.266 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -61 | -40 | 178.4 | -67.1 | 179.5 | -164.7 | 0 | 0 | 112 | L957 G1062 I1069 A1070 P1090 | L957-E1066 HydrophobicContact CD2-CB 4.27Å; L957-E1066 HydrophobicContact CD2-CG 4.48Å; G1062-E1066 WeakPolarHBondContact O-CG 3.38Å; G1062-E1066 PolarHBondContact O-N 3.44Å; E1066-I1069 PolarHBondContact O-N 2.83Å; E1066-A1070 VanDerWaalsContact O-CB 3.24Å; E1066-A1070 WeakPolarHBondContact O-CB 3.32Å; E1066-A1070 PolarHBondContact O-N 3.36Å; E1066-P1090 HydrophobicContact CB-CB 3.71Å; E1066-P1090 HydrophobicContact CB-CG 3.76Å |
| 1067 | L | 82.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 173.8 | 170.5 | 66.6 | 0 | 0 | 0 | 112 | F851 N1063 R1064 V1065 I1069 A1070 C1071 L1091 T1094 L1164 A1168 | F851-L1067 HydrophobicContact CE2-CD2 4.37Å; N1063-L1067 VanDerWaalsContact O-CB 3.22Å; N1063-L1067 WeakPolarHBondContact O-CB 3.46Å; N1063-L1067 PolarHBondContact O-N 3.17Å; R1064-L1067 WeakPolarHBondContact O-CB 3.42Å; R1064-L1067 PolarHBondContact O-N 3.42Å; V1065-L1067 VanDerWaalsContact C-N 3.33Å; V1065-L1067 PolarHBondContact O-N 3.34Å; L1067-I1069 VanDerWaalsContact C-N 3.25Å; L1067-I1069 PolarHBondContact O-N 2.93Å; L1067-A1070 PolarHBondContact O-N 3.14Å; L1067-A1070 VanDerWaalsContact O-N 3.17Å; L1067-C1071 WeakPolarHBondContact O-CB 3.5Å; L1067-C1071 PolarHBondContact O-N 3.44Å; L1067-C1071 PolarHBondContact O-SG 3.41Å; L1067-L1091 HydrophobicContact CD1-CD2 3.92Å; L1067-T1094 HydrophobicContact CD1-CG2 3.99Å; L1067-T1094 HydrophobicContact CD2-CG2 3.62Å; L1067-T1094 HydrophobicContact CG-CG2 4.33Å; L1067-L1164 HydrophobicContact CD2-CB 4.13Å; L1067-L1164 HydrophobicContact CD2-CD2 3.99Å; L1067-L1164 HydrophobicContact CD2-CG 4.46Å; L1067-A1168 HydrophobicContact CD1-CB 3.84Å |
| 1068 | G | 77.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | G854 R1064 V1065 A1072 | G854-G1068 CarbonylContact C-O 3.56Å; G854-G1068 VanDerWaalsContact CA-O 3.27Å; G854-G1068 WeakPolarHBondContact CA-O 3.3Å; R1064-G1068 PolarHBondContact O-N 3.18Å; R1064-G1068 VanDerWaalsContact O-N 3.09Å; V1065-G1068 PolarHBondContact O-N 3.05Å; G1068-A1072 PolarHBondContact O-N 3.28Å |
| 1069 | I | 82.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72.7 | -40.2 | 177.6 | -61.4 | 157.1 | 0 | 0 | 0 | 111.4 | L953 C956 L957 V1065 E1066 L1067 C1071 A1072 F1073 | L953-I1069 HydrophobicContact CB-CG2 4.26Å; L953-I1069 HydrophobicContact CD2-CG2 4.17Å; C956-I1069 HydrophobicContact CB-CD1 3.49Å; C956-I1069 VanDerWaalsContact CB-CD1 3.49Å; L957-I1069 HydrophobicContact CD1-CG2 4.1Å; L957-I1069 HydrophobicContact CD2-CB 3.96Å; L957-I1069 HydrophobicContact CD2-CG2 3.81Å; L957-I1069 HydrophobicContact CG-CB 4.38Å; L957-I1069 HydrophobicContact CG-CG2 3.68Å; V1065-I1069 HydrophobicContact CG1-CD1 3.77Å; V1065-I1069 WeakPolarHBondContact O-CD1 3.47Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.29Å; V1065-I1069 PolarHBondContact O-N 3.01Å; E1066-I1069 PolarHBondContact O-N 2.83Å; L1067-I1069 VanDerWaalsContact C-N 3.25Å; L1067-I1069 PolarHBondContact O-N 2.93Å; I1069-C1071 VanDerWaalsContact C-N 3.33Å; I1069-C1071 PolarHBondContact O-N 2.82Å; I1069-A1072 WeakPolarHBondContact O-CB 3.32Å; I1069-A1072 PolarHBondContact O-N 3.18Å; I1069-A1072 VanDerWaalsContact O-N 3.15Å; I1069-F1073 HydrophobicContact CG2-CD2 3.91Å; I1069-F1073 HydrophobicContact CG2-CE2 3.77Å; I1069-F1073 WeakPolarHBondContact O-CD2 3.48Å; I1069-F1073 PolarHBondContact O-N 3.44Å; I1069-F1073 VanDerWaalsContact O-N 3.14Å |
| 1070 | A | 82.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1066 L1067 F1073 A1074 L1087 P1090 L1091 | E1066-A1070 VanDerWaalsContact O-CB 3.24Å; E1066-A1070 WeakPolarHBondContact O-CB 3.32Å; E1066-A1070 PolarHBondContact O-N 3.36Å; L1067-A1070 PolarHBondContact O-N 3.14Å; L1067-A1070 VanDerWaalsContact O-N 3.17Å; A1070-F1073 PolarHBondContact O-N 3.08Å; A1070-A1074 WeakPolarHBondContact O-CB 3.19Å; A1070-A1074 PolarHBondContact O-N 2.9Å; A1070-L1087 HydrophobicContact CB-CD2 4.43Å; A1070-P1090 HydrophobicContact CB-CB 4.01Å; A1070-P1090 HydrophobicContact CB-CG 4.39Å; A1070-L1091 HydrophobicContact CB-CD2 4.42Å; A1070-L1091 HydrophobicContact CB-CG 4.2Å |
| 1071 | C | 78.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 171.7 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | S858 L1067 I1069 A1074 N1075 | S858-C1071 WeakPolarHBondContact CB-O 3.4Å; L1067-C1071 WeakPolarHBondContact O-CB 3.5Å; L1067-C1071 PolarHBondContact O-N 3.44Å; L1067-C1071 PolarHBondContact O-SG 3.41Å; I1069-C1071 VanDerWaalsContact C-N 3.33Å; I1069-C1071 PolarHBondContact O-N 2.82Å; C1071-A1074 PolarHBondContact O-N 3.03Å; C1071-N1075 PolarHBondContact O-N 3Å |
| 1072 | A | 76.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L857 G1068 I1069 A1074 N1075 M1076 | L857-A1072 HydrophobicContact CB-CB 3.78Å; G1068-A1072 PolarHBondContact O-N 3.28Å; I1069-A1072 WeakPolarHBondContact O-CB 3.32Å; I1069-A1072 PolarHBondContact O-N 3.18Å; I1069-A1072 VanDerWaalsContact O-N 3.15Å; A1072-A1074 VanDerWaalsContact C-N 3.34Å; A1072-A1074 PolarHBondContact O-N 2.82Å; A1072-N1075 PolarHBondContact O-N 3.3Å; A1072-M1076 WeakPolarHBondContact O-CB 3.41Å; A1072-M1076 WeakPolarHBondContact O-CG 3.03Å; A1072-M1076 PolarHBondContact O-N 3.04Å; A1072-M1076 VanDerWaalsContact O-N 3.09Å |
| 1073 | F | 77.3 | Confident | 72.8 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -34.2 | 175.9 | -80.1 | -66 | 0 | 0 | 0 | 113.8 | L953 E954 L957 I1069 A1070 N1075 I1079 L1087 | L953-F1073 HydrophobicContact CB-CE1 4.25Å; L953-F1073 HydrophobicContact CB-CE2 3.53Å; L953-F1073 HydrophobicContact CB-CZ 3.36Å; L953-F1073 HydrophobicContact CD1-CZ 4.41Å; E954-F1073 HydrophobicContact CG-CE1 4.47Å; E954-F1073 HydrophobicContact CG-CZ 3.86Å; L957-F1073 HydrophobicContact CD1-CD2 3.85Å; L957-F1073 HydrophobicContact CD1-CE2 3.59Å; L957-F1073 HydrophobicContact CG-CE2 4.41Å; I1069-F1073 HydrophobicContact CG2-CD2 3.91Å; I1069-F1073 HydrophobicContact CG2-CE2 3.77Å; I1069-F1073 WeakPolarHBondContact O-CD2 3.48Å; I1069-F1073 PolarHBondContact O-N 3.44Å; I1069-F1073 VanDerWaalsContact O-N 3.14Å; A1070-F1073 PolarHBondContact O-N 3.08Å; F1073-N1075 VanDerWaalsContact C-N 3.32Å; F1073-N1075 PolarHBondContact O-N 3.04Å; F1073-I1079 VanDerWaalsContact CD1-O 3.29Å; F1073-I1079 WeakPolarHBondContact CD1-O 3.48Å; F1073-I1079 HydrophobicContact CE1-CG2 4.25Å; F1073-L1087 HydrophobicContact CB-CD1 3.71Å; F1073-L1087 HydrophobicContact CB-CD2 3.5Å; F1073-L1087 HydrophobicContact CB-CG 4.26Å; F1073-L1087 HydrophobicContact CD2-CD2 3.57Å; F1073-L1087 HydrophobicContact CE2-CD2 4.44Å; F1073-L1087 HydrophobicContact CG-CD1 4.49Å; F1073-L1087 HydrophobicContact CG-CD2 3.73Å |
| 1074 | A | 73.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -33.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1070 C1071 A1072 C1171 L1175 | A1070-A1074 WeakPolarHBondContact O-CB 3.19Å; A1070-A1074 PolarHBondContact O-N 2.9Å; C1071-A1074 PolarHBondContact O-N 3.03Å; A1072-A1074 VanDerWaalsContact C-N 3.34Å; A1072-A1074 PolarHBondContact O-N 2.82Å; A1074-C1171 HydrophobicContact CB-CB 3.75Å; A1074-L1175 HydrophobicContact CB-CD1 3.89Å; A1074-L1175 HydrophobicContact CB-CD2 4.19Å; A1074-L1175 HydrophobicContact CB-CG 3.72Å |
| 1075 | N | 68.8 | Low | 72.6 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -97.2 | -24 | -175.3 | -62.7 | -16 | 0 | 0 | 0 | 112.6 | S858 S861 L862 C1071 A1072 F1073 N1077 | S858-N1075 PolarHBondContact O-ND2 3.23Å; S861-N1075 WeakPolarHBondContact OG-CB 3.45Å; L862-N1075 WeakPolarHBondContact CD1-ND2 3.32Å; L862-N1075 HydrophobicContact CD2-CB 4.25Å; L862-N1075 HydrophobicContact CG-CB 4.09Å; L862-N1075 WeakPolarHBondContact CG-ND2 3.45Å; C1071-N1075 PolarHBondContact O-N 3Å; A1072-N1075 PolarHBondContact O-N 3.3Å; F1073-N1075 VanDerWaalsContact C-N 3.32Å; F1073-N1075 PolarHBondContact O-N 3.04Å; N1075-N1077 PolarHBondContact O-N 3.25Å |
| 1076 | M | 67.8 | Low | 72.5 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | trans | -74.5 | 84 | 173 | -72.9 | -176.3 | 175.8 | 0 | 0 | 111.8 | L857 A1072 W1078 I1079 | L857-M1076 HydrophobicContact CB-CE 3.86Å; L857-M1076 HydrophobicContact CD2-CE 4Å; L857-M1076 HydrophobicContact CG-CE 4.42Å; A1072-M1076 WeakPolarHBondContact O-CB 3.41Å; A1072-M1076 WeakPolarHBondContact O-CG 3.03Å; A1072-M1076 PolarHBondContact O-N 3.04Å; A1072-M1076 VanDerWaalsContact O-N 3.09Å; M1076-W1078 PolarHBondContact O-N 3.04Å; M1076-I1079 HydrophobicContact CB-CB 4.48Å; M1076-I1079 HydrophobicContact CB-CD1 4.21Å; M1076-I1079 HydrophobicContact CB-CG1 4.27Å; M1076-I1079 PolarHBondContact O-N 3.14Å; M1076-I1079 HydrophobicContact SD-CD1 3.8Å | ||
| 1077 | N | 61.2 | Low | 72.3 | Confident | 63 Ų | 63 | 40 Ų | 40 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -19.1 | -177.2 | -74.2 | -32.4 | 0 | 0 | 0 | 116.5 | N1075 R1174 | N1075-N1077 PolarHBondContact O-N 3.25Å; N1077-R1174 PolarHBondContact OD1-NH2 2.91Å |
| 1078 | W | 59.7 | Low | 72.3 | Confident | 213 Ų | 213 | 41 Ų | 41 | 81% | 0.807 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 3.9 | -175.1 | -59.5 | -16.5 | 0 | 0 | 0 | 115 | M1076 | M1076-W1078 PolarHBondContact O-N 3.04Š|
| 1079 | I | 58.5 | Low | 72.5 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | trans | -133 | 51.6 | -170.2 | -36.4 | 177.4 | 0 | 0 | 0 | 113 | T946 R950 F1073 M1076 | T946-I1079 HydrophobicContact CG2-CD1 3.58Å; T946-I1079 HydrophobicContact CG2-CG1 3.8Å; R950-I1079 HydrophobicContact CB-CG2 3.63Å; R950-I1079 HydrophobicContact CG-CG2 3.56Å; F1073-I1079 VanDerWaalsContact CD1-O 3.29Å; F1073-I1079 WeakPolarHBondContact CD1-O 3.48Å; F1073-I1079 HydrophobicContact CE1-CG2 4.25Å; M1076-I1079 HydrophobicContact CB-CB 4.48Å; M1076-I1079 HydrophobicContact CB-CD1 4.21Å; M1076-I1079 HydrophobicContact CB-CG1 4.27Å; M1076-I1079 PolarHBondContact O-N 3.14Å; M1076-I1079 HydrophobicContact SD-CD1 3.8Å | ||
| 1080 | L | 64.3 | Low | 72.4 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | trans | -74.3 | 127 | 172.8 | -71.1 | 168.6 | 0 | 0 | 0 | 111 | L1084 L1087 L1175 | L1080-L1084 HydrophobicContact CD2-CD2 4.17Å; L1080-L1087 HydrophobicContact CD2-CD1 4.32Å; L1080-L1175 HydrophobicContact CD2-CD2 3.69Å | ||
| 1081 | P | 65.5 | Low | 72.5 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | trans | -69.2 | 145.8 | 174.9 | 29.6 | -34 | 0 | 0 | 0 | 110.1 | E954 R1083 L1087 | E954-P1081 HydrophobicContact CG-CB 4.46Å; E954-P1081 WeakPolarHBondContact OE1-CB 3.39Å; P1081-R1083 PolarHBondContact O-N 3.03Å; P1081-L1087 HydrophobicContact CG-CD1 3.83Å; P1081-L1087 HydrophobicContact CG-CD2 4.04Å; P1081-L1087 HydrophobicContact CG-CG 3.79Å | ||
| 1082 | G | 64.2 | Low | 72.7 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 80% | 0.804 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -62.1 | -3.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1083 | R | 71.2 | Confident | 72.9 | Confident | 184 Ų | 184 | 52 Ų | 52 | 69% | 0.694 | 26% | 0.258 | S | S | * | . | trans | -130.3 | 91.4 | 171.5 | -67.4 | -177.9 | -179.6 | 176.4 | 1 | 110 | P1081 S1085 L1086 | P1081-R1083 PolarHBondContact O-N 3.03Å; R1083-S1085 PolarHBondContact O-N 3.44Å; R1083-L1086 HydrophobicContact CB-CD1 4.13Å; R1083-L1086 HydrophobicContact CB-CG 4.19Å; R1083-L1086 WeakPolarHBondContact O-CB 3.37Å; R1083-L1086 PolarHBondContact O-N 3.15Å | ||
| 1084 | L | 75.2 | Confident | 72.9 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -24.9 | 176 | -77.7 | 155.8 | 0 | 0 | 0 | 114.2 | L1080 L1086 L1087 I1088 E1179 | L1080-L1084 HydrophobicContact CD2-CD2 4.17Å; L1084-L1086 PolarHBondContact O-N 3.29Å; L1084-L1087 PolarHBondContact O-N 3.13Å; L1084-I1088 HydrophobicContact CB-CD1 4.27Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.36Å; L1084-I1088 PolarHBondContact O-N 2.88Å; L1084-E1179 HydrophobicContact CD1-CG 4.4Å; L1084-E1179 WeakPolarHBondContact CD1-OE1 3.36Å |
| 1085 | S | 75.7 | Confident | 73.1 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 54% | 0.538 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -24.6 | 174.6 | 60 | 0 | 0 | 0 | 0 | 114.3 | R1083 L1087 R1089 | R1083-S1085 PolarHBondContact O-N 3.44Å; S1085-L1087 VanDerWaalsContact C-N 3.28Å; S1085-R1089 WeakPolarHBondContact O-CB 3.47Å; S1085-R1089 PolarHBondContact O-N 3.49Å |
| 1086 | L | 76 | Confident | 73.3 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.4 | -22.4 | 175.6 | -63.4 | 173.8 | 0 | 0 | 0 | 112.6 | R1083 L1084 P1090 | R1083-L1086 HydrophobicContact CB-CD1 4.13Å; R1083-L1086 HydrophobicContact CB-CG 4.19Å; R1083-L1086 WeakPolarHBondContact O-CB 3.37Å; R1083-L1086 PolarHBondContact O-N 3.15Å; L1084-L1086 PolarHBondContact O-N 3.29Å; L1086-P1090 VanDerWaalsContact O-CD 3.22Å; L1086-P1090 WeakPolarHBondContact O-CD 3.49Å; L1086-P1090 WeakPolarHBondContact O-CG 3.4Å |
| 1087 | L | 79.7 | Confident | 73 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -96.2 | -41.6 | 176.2 | -55.4 | -175.1 | 0 | 0 | 0 | 111.9 | L957 A1070 F1073 L1080 P1081 L1084 S1085 R1089 P1090 L1091 L1175 | L957-L1087 HydrophobicContact CD1-CD2 3.88Å; A1070-L1087 HydrophobicContact CB-CD2 4.43Å; F1073-L1087 HydrophobicContact CB-CD1 3.71Å; F1073-L1087 HydrophobicContact CB-CD2 3.5Å; F1073-L1087 HydrophobicContact CB-CG 4.26Å; F1073-L1087 HydrophobicContact CD2-CD2 3.57Å; F1073-L1087 HydrophobicContact CE2-CD2 4.44Å; F1073-L1087 HydrophobicContact CG-CD1 4.49Å; F1073-L1087 HydrophobicContact CG-CD2 3.73Å; L1080-L1087 HydrophobicContact CD2-CD1 4.32Å; P1081-L1087 HydrophobicContact CG-CD1 3.83Å; P1081-L1087 HydrophobicContact CG-CD2 4.04Å; P1081-L1087 HydrophobicContact CG-CG 3.79Å; L1084-L1087 PolarHBondContact O-N 3.13Å; S1085-L1087 VanDerWaalsContact C-N 3.28Å; L1087-R1089 VanDerWaalsContact C-N 3.31Å; L1087-R1089 PolarHBondContact O-N 3.14Å; L1087-P1090 WeakPolarHBondContact O-CD 3.44Å; L1087-L1091 WeakPolarHBondContact O-CD1 3.46Å; L1087-L1091 WeakPolarHBondContact O-CG 3.27Å; L1087-L1091 PolarHBondContact O-N 3.26Å; L1087-L1175 HydrophobicContact CB-CD1 4.07Å; L1087-L1175 HydrophobicContact CD1-CD1 4.33Å; L1087-L1175 HydrophobicContact CD1-CD2 3.97Å |
| 1088 | I | 82.5 | Confident | 72.6 | Confident | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | -177.2 | -69.5 | 169.7 | 0 | 0 | 0 | 111.4 | L1084 M1092 A1208 V1212 | L1084-I1088 HydrophobicContact CB-CD1 4.27Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.36Å; L1084-I1088 PolarHBondContact O-N 2.88Å; I1088-M1092 HydrophobicContact CG2-CG 4Å; I1088-M1092 WeakPolarHBondContact O-CB 3.27Å; I1088-M1092 VanDerWaalsContact O-CG 3.22Å; I1088-M1092 WeakPolarHBondContact O-CG 3.1Å; I1088-M1092 PolarHBondContact O-N 3.19Å; I1088-A1208 HydrophobicContact CD1-CB 3.82Å; I1088-V1212 HydrophobicContact CD1-CG2 4.26Å; I1088-V1212 HydrophobicContact CG2-CG2 3.4Å |
| 1089 | R | 83.2 | Confident | 72.2 | Confident | 175 Ų | 175 | 52.8 Ų | 52.8 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.7 | -55.7 | -178.4 | 173.6 | -179.6 | -176.8 | -176.6 | -0 | 112.7 | S1085 L1087 L1091 M1092 D1093 | S1085-R1089 WeakPolarHBondContact O-CB 3.47Å; S1085-R1089 PolarHBondContact O-N 3.49Å; L1087-R1089 VanDerWaalsContact C-N 3.31Å; L1087-R1089 PolarHBondContact O-N 3.14Å; R1089-L1091 VanDerWaalsContact C-N 3.26Å; R1089-L1091 PolarHBondContact O-N 2.75Å; R1089-M1092 PolarHBondContact O-N 3Å; R1089-M1092 VanDerWaalsContact O-N 3.12Å; R1089-D1093 WeakPolarHBondContact CG-OD2 3.4Å; R1089-D1093 IonicContact NE-OD2 2.78Å; R1089-D1093 PolarHBondContact NE-OD2 3.4Å; R1089-D1093 WeakPolarHBondContact O-CB 3.44Å; R1089-D1093 PolarHBondContact O-N 3.33Å |
| 1090 | P | 79.8 | Confident | 71.2 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.6 | -39.3 | 176.2 | -29 | 34.7 | 0 | 0 | 0 | 114.4 | L957 E1066 A1070 L1086 L1087 T1094 | L957-P1090 HydrophobicContact CD2-CG 4.46Å; E1066-P1090 HydrophobicContact CB-CB 3.71Å; E1066-P1090 HydrophobicContact CB-CG 3.76Å; A1070-P1090 HydrophobicContact CB-CB 4.01Å; A1070-P1090 HydrophobicContact CB-CG 4.39Å; L1086-P1090 VanDerWaalsContact O-CD 3.22Å; L1086-P1090 WeakPolarHBondContact O-CD 3.49Å; L1086-P1090 WeakPolarHBondContact O-CG 3.4Å; L1087-P1090 WeakPolarHBondContact O-CD 3.44Å; P1090-T1094 WeakPolarHBondContact O-CB 3.46Å; P1090-T1094 PolarHBondContact O-N 3.1Å; P1090-T1094 PolarHBondContact O-OG1 3.45Å |
| 1091 | L | 83.4 | Confident | 69.7 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 177.2 | -65.8 | 169.6 | 0 | 0 | 0 | 111.2 | L1067 A1070 L1087 R1089 T1094 I1095 A1168 C1171 L1172 L1175 | L1067-L1091 HydrophobicContact CD1-CD2 3.92Å; A1070-L1091 HydrophobicContact CB-CD2 4.42Å; A1070-L1091 HydrophobicContact CB-CG 4.2Å; L1087-L1091 WeakPolarHBondContact O-CD1 3.46Å; L1087-L1091 WeakPolarHBondContact O-CG 3.27Å; L1087-L1091 PolarHBondContact O-N 3.26Å; R1089-L1091 VanDerWaalsContact C-N 3.26Å; R1089-L1091 PolarHBondContact O-N 2.75Å; L1091-T1094 WeakPolarHBondContact O-CB 3.48Å; L1091-T1094 PolarHBondContact O-N 3.47Å; L1091-I1095 WeakPolarHBondContact O-CD1 3.31Å; L1091-I1095 VanDerWaalsContact O-CG1 3.24Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.48Å; L1091-I1095 PolarHBondContact O-N 3.36Å; L1091-A1168 HydrophobicContact CD2-CB 4.04Å; L1091-C1171 HydrophobicContact CD1-CB 4.44Å; L1091-C1171 HydrophobicContact CD2-CB 3.91Å; L1091-L1172 HydrophobicContact CD1-CB 4.39Å; L1091-L1172 HydrophobicContact CD1-CD1 4.4Å; L1091-L1175 HydrophobicContact CD1-CD1 3.44Å; L1091-L1175 VanDerWaalsContact CD1-CD1 3.44Å |
| 1092 | M | 84 | Confident | 68 | Low | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 177.4 | -71.7 | -66.3 | -69.1 | 0 | 0 | 112.8 | I1088 R1089 T1094 I1095 R1096 L1172 V1212 N1215 L1216 Y1219 | I1088-M1092 HydrophobicContact CG2-CG 4Å; I1088-M1092 WeakPolarHBondContact O-CB 3.27Å; I1088-M1092 VanDerWaalsContact O-CG 3.22Å; I1088-M1092 WeakPolarHBondContact O-CG 3.1Å; I1088-M1092 PolarHBondContact O-N 3.19Å; R1089-M1092 PolarHBondContact O-N 3Å; R1089-M1092 VanDerWaalsContact O-N 3.12Å; M1092-T1094 VanDerWaalsContact C-N 3.27Å; M1092-T1094 PolarHBondContact O-N 2.86Å; M1092-I1095 PolarHBondContact O-N 3.45Å; M1092-I1095 HydrophobicContact SD-CD1 4.23Å; M1092-R1096 WeakPolarHBondContact O-CB 3.44Å; M1092-R1096 PolarHBondContact O-N 2.96Å; M1092-L1172 HydrophobicContact SD-CD2 3.89Å; M1092-V1212 HydrophobicContact SD-CG1 4.08Å; M1092-N1215 HydrophobicContact CE-CB 3.65Å; M1092-L1216 HydrophobicContact CE-CD2 3.94Å; M1092-L1216 HydrophobicContact CE-CG 4.19Å; M1092-L1216 HydrophobicContact SD-CD2 3.93Å; M1092-L1216 HydrophobicContact SD-CG 4.29Å; M1092-Y1219 HydrophobicContact CE-CE2 3.74Å |
| 1093 | D | 80.1 | Confident | 66.1 | Low | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -28.4 | 176.4 | -72.9 | -31.7 | 0 | 0 | 0 | 111.5 | R1089 C1097 | R1089-D1093 WeakPolarHBondContact CG-OD2 3.4Å; R1089-D1093 IonicContact NE-OD2 2.78Å; R1089-D1093 PolarHBondContact NE-OD2 3.4Å; R1089-D1093 WeakPolarHBondContact O-CB 3.44Å; R1089-D1093 PolarHBondContact O-N 3.33Å; D1093-C1097 PolarHBondContact O-SG 2.82Å |
| 1094 | T | 76.6 | Confident | 64 | Low | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.7 | -42.3 | 167.8 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | L1067 P1090 L1091 M1092 R1096 C1097 L1164 A1168 | L1067-T1094 HydrophobicContact CD1-CG2 3.99Å; L1067-T1094 HydrophobicContact CD2-CG2 3.62Å; L1067-T1094 HydrophobicContact CG-CG2 4.33Å; P1090-T1094 WeakPolarHBondContact O-CB 3.46Å; P1090-T1094 PolarHBondContact O-N 3.1Å; P1090-T1094 PolarHBondContact O-OG1 3.45Å; L1091-T1094 WeakPolarHBondContact O-CB 3.48Å; L1091-T1094 PolarHBondContact O-N 3.47Å; M1092-T1094 VanDerWaalsContact C-N 3.27Å; M1092-T1094 PolarHBondContact O-N 2.86Å; T1094-R1096 PolarHBondContact O-N 3.03Å; T1094-C1097 WeakPolarHBondContact O-CB 3.44Å; T1094-C1097 PolarHBondContact O-N 3.21Å; T1094-C1097 VanDerWaalsContact O-N 3.12Å; T1094-L1164 HydrophobicContact CG2-CB 4.12Å; T1094-A1168 HydrophobicContact CG2-CB 3.74Å |
| 1095 | I | 77 | Confident | 61.5 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 175.9 | -73.7 | 159 | 0 | 0 | 0 | 110.4 | L1091 M1092 C1097 Q1165 A1168 L1172 L1216 S1292 | L1091-I1095 WeakPolarHBondContact O-CD1 3.31Å; L1091-I1095 VanDerWaalsContact O-CG1 3.24Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.48Å; L1091-I1095 PolarHBondContact O-N 3.36Å; M1092-I1095 PolarHBondContact O-N 3.45Å; M1092-I1095 HydrophobicContact SD-CD1 4.23Å; I1095-C1097 VanDerWaalsContact C-N 3.28Å; I1095-C1097 PolarHBondContact O-N 2.79Å; I1095-Q1165 PolarHBondContact O-NE2 3.43Å; I1095-A1168 HydrophobicContact CD1-CB 4.42Å; I1095-A1168 HydrophobicContact CG1-CB 3.99Å; I1095-L1172 HydrophobicContact CD1-CB 4.5Å; I1095-L1172 HydrophobicContact CD1-CD2 3.48Å; I1095-L1172 VanDerWaalsContact CD1-CD2 3.48Å; I1095-L1216 HydrophobicContact CG2-CD2 3.98Å; I1095-S1292 VanDerWaalsContact CD1-OG 3.25Å; I1095-S1292 WeakPolarHBondContact CD1-OG 3.39Å; I1095-S1292 WeakPolarHBondContact CG1-OG 3.27Å; I1095-S1292 WeakPolarHBondContact CG2-OG 3.45Å |
| 1096 | R | 73.8 | Confident | 59.1 | Low | 101 Ų | 101 | 65.8 Ų | 65.8 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -3.5 | 177.6 | -157.3 | -175 | -179.7 | -169.1 | 0.5 | 115.3 | M1092 T1094 Q1285 | M1092-R1096 WeakPolarHBondContact O-CB 3.44Å; M1092-R1096 PolarHBondContact O-N 2.96Å; T1094-R1096 PolarHBondContact O-N 3.03Å; R1096-Q1285 HydrophobicContact CB-CG 4.48Å; R1096-Q1285 HydrophobicContact CG-CG 3.68Å |
| 1097 | C | 62.4 | Low | 56.6 | Low | 15 Ų | 15 | 71.1 Ų | 71.1 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -58 | 148.8 | -143 | -116.8 | 0 | 0 | 0 | 0 | 119.1 | D1093 T1094 I1095 S1284 | D1093-C1097 PolarHBondContact O-SG 2.82Å; T1094-C1097 WeakPolarHBondContact O-CB 3.44Å; T1094-C1097 PolarHBondContact O-N 3.21Å; T1094-C1097 VanDerWaalsContact O-N 3.12Å; I1095-C1097 VanDerWaalsContact C-N 3.28Å; I1095-C1097 PolarHBondContact O-N 2.79Å; C1097-S1284 PolarHBondContact O-OG 3.39Å |
| 1098 | V | 52.2 | Low | 54 | Low | 62 Ų | 62 | 74.8 Ų | 74.8 | 38% | 0.376 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 128.6 | -179 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | T1056 | T1056-V1098 HydrophobicContact CG2-CG1 4.08Š|
| 1099 | K | 51.2 | Low | 51.4 | Low | 146 Ų | 146 | 78.2 Ų | 78.2 | 64% | 0.635 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 133.8 | 160.8 | -82 | -175.9 | 173.7 | -177.8 | 0 | 109.3 | C1101 | K1099-C1101 VanDerWaalsContact C-N 3.29Å; K1099-C1101 PolarHBondContact O-N 3.28Å |
| 1100 | P | 38.3 | Very low | 48.6 | Very low | 36 Ų | 36 | 80.5 Ų | 80.5 | 23% | 0.234 | 42% | 0.421 | C | S | . | . | trans | -75.9 | 85.9 | 158.3 | 31.4 | -29.7 | 0 | 0 | 0 | 108.4 | T1056 I1102 | T1056-P1100 HydrophobicContact CG2-CB 4.02Å; P1100-I1102 PolarHBondContact O-N 3.33Å; P1100-I1102 VanDerWaalsContact O-N 3.07Å | ||
| 1101 | C | 31.7 | Very low | 46.1 | Very low | 74 Ų | 74 | 82.9 Ų | 82.9 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | trans | -66.4 | 107.7 | 166.8 | -66.6 | 0 | 0 | 0 | 0 | 107.8 | K1099 N1103 | K1099-C1101 VanDerWaalsContact C-N 3.29Å; K1099-C1101 PolarHBondContact O-N 3.28Å; C1101-N1103 PolarHBondContact O-N 3.5Å | ||
| 1102 | I | 30.5 | Very low | 43.3 | Very low | 89 Ų | 89 | 88.4 Ų | 88.4 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | trans | -68.5 | 117.8 | 177 | -66.8 | 173.2 | 0 | 0 | 0 | 107.6 | P1100 Q1104 | P1100-I1102 PolarHBondContact O-N 3.33Å; P1100-I1102 VanDerWaalsContact O-N 3.07Å; I1102-Q1104 PolarHBondContact O-N 3.46Å | ||
| 1103 | N | 24.6 | Very low | 40.5 | Very low | 128 Ų | 128 | 95.4 Ų | 95.4 | 68% | 0.684 | 51% | 0.505 | S | S | * | . | trans | -69.8 | 92.9 | 171.8 | -74.1 | -28.1 | 0 | 0 | 0 | 109.5 | C1101 | C1101-N1103 PolarHBondContact O-N 3.5Š| ||
| 1104 | Q | 26.6 | Very low | 37.9 | Very low | 170 Ų | 170 | 98.4 Ų | 98.4 | 79% | 0.794 | 53% | 0.529 | S | S | * | . | trans | -139.3 | 146.7 | 156.9 | -106.1 | 168.3 | 2 | 0 | 0 | 109.8 | I1102 D1106 | I1102-Q1104 PolarHBondContact O-N 3.46Å; Q1104-D1106 PolarHBondContact O-N 3.32Å | ||
| 1105 | S | 23.5 | Very low | 35.4 | Very low | 116 Ų | 116 | 100.8 Ų | 100.8 | 81% | 0.811 | 55% | 0.554 | S | S | * | * | trans | -79.3 | 98.4 | -163.6 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1106 | D | 23.6 | Very low | 32.8 | Very low | 123 Ų | 123 | 104 Ų | 104 | 66% | 0.658 | 57% | 0.574 | S | S | * | * | trans | -133.5 | 110.4 | 166 | -90.8 | -47.1 | 0 | 0 | 0 | 110.9 | Q1104 S1108 | Q1104-D1106 PolarHBondContact O-N 3.32Å; D1106-S1108 PolarHBondContact O-N 3.34Å; D1106-S1108 VanDerWaalsContact O-N 3.09Å | ||
| 1107 | N | 25 | Very low | 30.5 | Very low | 177 Ų | 177 | 101.9 Ų | 101.9 | 95% | 0.947 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 9.7 | 178.5 | -78.1 | -31.3 | 0 | 0 | 0 | 113.4 | ||
| 1108 | S | 25.3 | Very low | 28.7 | Very low | 76 Ų | 76 | 104.1 Ų | 104.1 | 53% | 0.531 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -16.8 | -169.9 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | D1106 | D1106-S1108 PolarHBondContact O-N 3.34Å; D1106-S1108 VanDerWaalsContact O-N 3.09Å |
| 1109 | V | 26.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -95.1 | 3.5 | -167.4 | -171.3 | 0 | 0 | 0 | 0 | 113.9 | S1111 L1112 | V1109-S1111 PolarHBondContact O-N 3.34Å; V1109-L1112 HydrophobicContact CG1-CD1 4.31Å |
| 1110 | R | 25.6 | Very low | 26 | Very low | 222 Ų | 222 | 105 Ų | 105 | 84% | 0.838 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -83.8 | -0.3 | -178.9 | -78 | -172.9 | 175.4 | -176.6 | -1.4 | 115.7 | ||
| 1111 | S | 25.9 | Very low | 25.2 | Very low | 54 Ų | 54 | 111.5 Ų | 111.5 | 38% | 0.378 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -90.5 | -11.4 | 174.6 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | V1109 N1113 S1114 | V1109-S1111 PolarHBondContact O-N 3.34Å; S1111-N1113 VanDerWaalsContact C-N 3.35Å; S1111-N1113 PolarHBondContact O-N 3.41Å; S1111-S1114 PolarHBondContact O-OG 2.73Å |
| 1112 | L | 25.6 | Very low | 24.8 | Very low | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 4.5 | -168.3 | -87.2 | 156.9 | 0 | 0 | 0 | 116.6 | V1109 | V1109-L1112 HydrophobicContact CG1-CD1 4.31Š|
| 1113 | N | 24.7 | Very low | 24.4 | Very low | 160 Ų | 160 | 116.7 Ų | 116.7 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 14.2 | 176.2 | -82.8 | -14.7 | 0 | 0 | 0 | 114.1 | S1111 | S1111-N1113 VanDerWaalsContact C-N 3.35Å; S1111-N1113 PolarHBondContact O-N 3.41Å |
| 1114 | S | 24.9 | Very low | 24.4 | Very low | 102 Ų | 102 | 114.8 Ų | 114.8 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -127.7 | 18.2 | 175.1 | 56.8 | 0 | 0 | 0 | 0 | 114 | S1111 | S1111-S1114 PolarHBondContact O-OG 2.73Š|
| 1115 | G | 23.8 | Very low | 24.2 | Very low | 54 Ų | 54 | 116.7 Ų | 116.7 | 56% | 0.557 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -118.9 | -7.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1116 | T | 23.9 | Very low | 24.1 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 42% | 0.423 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -115.5 | 5.8 | -173.3 | 54.8 | 0 | 0 | 0 | 0 | 115.9 | G1118 I1158 | T1116-G1118 VanDerWaalsContact C-N 3.33Å; T1116-G1118 PolarHBondContact O-N 3.44Å; T1116-I1158 WeakPolarHBondContact OG1-CD1 3.32Å |
| 1117 | D | 24.5 | Very low | 24.1 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 30% | 0.299 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.2 | 25.5 | 179.9 | -80.8 | -1.5 | 0 | 0 | 0 | 113.3 | S1609 S1610 | D1117-S1609 PolarHBondContact OD2-OG 3.25Å; D1117-S1610 VanDerWaalsContact CG-CB 3.46Å; D1117-S1610 WeakPolarHBondContact OD2-CB 3.4Å; D1117-S1610 PolarHBondContact OD2-N 3.09Å; D1117-S1610 VanDerWaalsContact OD2-N 3.13Å; D1117-S1610 PolarHBondContact OD2-OG 2.94Å |
| 1118 | G | 24.1 | Very low | 24.1 | Very low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -19.4 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1116 F1120 | T1116-G1118 VanDerWaalsContact C-N 3.33Å; T1116-G1118 PolarHBondContact O-N 3.44Å; G1118-F1120 VanDerWaalsContact C-N 3.34Å; G1118-F1120 PolarHBondContact O-N 3.37Å |
| 1119 | I | 23.9 | Very low | 24 | Very low | 150 Ų | 150 | 122.5 Ų | 122.5 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -94.5 | 47.9 | -169.3 | -42.6 | -177.2 | 0 | 0 | 0 | 112.3 | ||||
| 1120 | F | 23.5 | Very low | 23.9 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 33% | 0.329 | 66% | 0.656 | S | S | . | * | trans | -139.1 | 47 | 165.5 | -84.9 | -75.8 | 0 | 0 | 0 | 113.3 | G1118 I1122 I1155 K1617 | G1118-F1120 VanDerWaalsContact C-N 3.34Å; G1118-F1120 PolarHBondContact O-N 3.37Å; F1120-I1122 HydrophobicContact CD1-CD1 4.13Å; F1120-I1122 HydrophobicContact CD1-CG1 4.47Å; F1120-I1122 HydrophobicContact CE1-CD1 4.15Å; F1120-I1155 HydrophobicContact CD2-CG2 4.26Å; F1120-I1155 HydrophobicContact CE1-CD1 3.83Å; F1120-I1155 HydrophobicContact CE1-CG1 4.33Å; F1120-I1155 HydrophobicContact CE1-CG2 4.28Å; F1120-I1155 HydrophobicContact CE2-CB 4.42Å; F1120-I1155 HydrophobicContact CE2-CG2 3.33Å; F1120-I1155 HydrophobicContact CZ-CB 4.07Å; F1120-I1155 HydrophobicContact CZ-CD1 3.71Å; F1120-I1155 HydrophobicContact CZ-CG1 3.69Å; F1120-I1155 HydrophobicContact CZ-CG2 3.35Å; F1120-K1617 PolarHBondContact O-NZ 3.28Å | ||
| 1121 | Q | 22.5 | Very low | 23.8 | Very low | 173 Ų | 173 | 115.4 Ų | 115.4 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | trans | -89.6 | 89.6 | 150.6 | -84.4 | -170.6 | -24.6 | 0 | 0 | 109.3 | ||||
| 1122 | I | 22.3 | Very low | 23.7 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 65% | 0.646 | 66% | 0.664 | S | S | * | * | trans | -90.5 | 116.2 | 162.4 | -66.4 | 176.9 | 0 | 0 | 0 | 107.1 | F1120 | F1120-I1122 HydrophobicContact CD1-CD1 4.13Å; F1120-I1122 HydrophobicContact CD1-CG1 4.47Å; F1120-I1122 HydrophobicContact CE1-CD1 4.15Å | ||
| 1123 | N | 22 | Very low | 23.7 | Very low | 147 Ų | 147 | 118 Ų | 118 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 61.7 | 83.3 | 159.5 | -58.4 | -15.1 | 0 | 0 | 0 | 119.7 | ||
| 1124 | S | 24 | Very low | 23.7 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | -146.2 | 102.1 | 127.3 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1125 | R | 22.7 | Very low | 23.7 | Very low | 210 Ų | 210 | 118.2 Ų | 118.2 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | trans | -83.1 | 131.3 | 172.6 | -75.1 | 176.5 | 170.4 | 172.7 | -4.9 | 108.7 | ||||
| 1126 | H | 22.7 | Very low | 23.6 | Very low | 173 Ų | 173 | 120.7 Ų | 120.7 | 80% | 0.801 | 68% | 0.684 | S | S | * | * | trans | -169.2 | 134.7 | 130.9 | -98.9 | -66.7 | 0 | 0 | 0 | 111.4 | ||||
| 1127 | N | 22.2 | Very low | 23.6 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | trans | 65.9 | 68.6 | 155.2 | -54.5 | 1.5 | 0 | 0 | 0 | 120.2 | ||||
| 1128 | I | 24.9 | Very low | 23.6 | Very low | 175 Ų | 175 | 125.7 Ų | 125.7 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -134.4 | 126.2 | 134.1 | -58.5 | -176.8 | 0 | 0 | 0 | 107.7 | ||||
| 1129 | T | 23.2 | Very low | 23.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | -107.5 | 144.5 | -173 | 25.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1130 | S | 24 | Very low | 23.5 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | trans | 68.8 | 129.9 | 167.6 | 78.1 | 0 | 0 | 0 | 0 | 116 | R70 | R70-S1130 PolarHBondContact NH2-OG 3.23Š| ||
| 1131 | T | 23.9 | Very low | 23.4 | Very low | 97 Ų | 97 | 126 Ų | 126 | 60% | 0.595 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -140.4 | 171.7 | 17.4 | 39.9 | 0 | 0 | 0 | 0 | 113.3 | R66 | R66-T1131 PolarHBondContact NH1-OG1 3.21Š|
| 1132 | A | 25.2 | Very low | 23.3 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | trans | 90.1 | 73.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1133 | T | 24.6 | Very low | 23.2 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -41 | 157 | 144.7 | 43.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1134 | T | 24.5 | Very low | 23.2 | Very low | 122 Ų | 122 | 120 Ų | 120 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | cis | -164.3 | 130.3 | 20.6 | -9.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1135 | T | 24.9 | Very low | 23.1 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | 169.4 | 94.6 | 139.4 | 43.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1136 | S | 22.3 | Very low | 23 | Very low | 105 Ų | 105 | 117.2 Ų | 117.2 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -155.6 | 87.2 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1137 | S | 23.3 | Very low | 23 | Very low | 114 Ų | 114 | 111 Ų | 111 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | -168.1 | 152 | 154.4 | 51.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1138 | I | 25.7 | Very low | 23 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | cis | -151.1 | 143.7 | 31 | -25.7 | 174.4 | 0 | 0 | 0 | 103.2 | ||||
| 1139 | F | 25 | Very low | 23 | Very low | 155 Ų | 155 | 103.2 Ų | 103.2 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | -163.4 | 151.6 | 55.1 | -102.8 | -84.8 | 0 | 0 | 0 | 111.2 | |||||
| 1140 | G | 20 | Very low | 23.1 | Very low | 71 Ų | 71 | 99.6 Ų | 99.6 | 73% | 0.732 | 67% | 0.672 | S | S | * | * | trans | -99.7 | 168 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1141 | G | 21.4 | Very low | 23.1 | Very low | 69 Ų | 69 | 99.4 Ų | 99.4 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | 121.4 | 85.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1142 | S | 20.6 | Very low | 23.2 | Very low | 112 Ų | 112 | 98.9 Ų | 98.9 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | 78.2 | 119.4 | 85.1 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1143 | S | 20.9 | Very low | 23.2 | Very low | 111 Ų | 111 | 98.7 Ų | 98.7 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | 78.6 | 124 | 159.8 | 75.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1144 | S | 21.2 | Very low | 23.2 | Very low | 97 Ų | 97 | 98.9 Ų | 98.9 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | trans | 82.2 | 120.6 | 138.9 | 75.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1145 | N | 21 | Very low | 23.3 | Very low | 141 Ų | 141 | 97.9 Ų | 97.9 | 75% | 0.754 | 64% | 0.644 | S | S | * | * | trans | 78.9 | 106.7 | 130.2 | -62.5 | -8.4 | 0 | 0 | 0 | 122 | ||||
| 1146 | S | 21.7 | Very low | 23.3 | Very low | 96 Ų | 96 | 94.8 Ų | 94.8 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | 60.3 | 102 | 128.5 | 65.4 | 0 | 0 | 0 | 0 | 119.5 | N893 | N893-S1146 PolarHBondContact ND2-O 3.34Š| |||
| 1147 | S | 22.8 | Very low | 23.3 | Very low | 42 Ų | 42 | 94.4 Ų | 94.4 | 29% | 0.294 | 62% | 0.616 | S | S | . | * | -168.2 | 122 | 90.3 | 62.8 | 0 | 0 | 0 | 0 | 112 | N893 F895 | N893-S1147 WeakPolarHBondContact CB-OG 3.46Å; N893-S1147 PolarHBondContact ND2-OG 2.92Å; N893-S1147 PolarHBondContact OD1-OG 3.3Å; F895-S1147 WeakPolarHBondContact CD2-OG 3.42Å | |||
| 1148 | A | 23 | Very low | 23.6 | Very low | 77 Ų | 77 | 92.1 Ų | 92.1 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | trans | -77.3 | 137.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1149 | V | 23.6 | Very low | 24.3 | Very low | 80 Ų | 80 | 88.2 Ų | 88.2 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | S | Bend | trans | 172.8 | -14.1 | 149.1 | 151.2 | 0 | 0 | 0 | 0 | 110.8 | F895 | F895-V1149 HydrophobicContact CD1-CB 3.44Å; F895-V1149 VanDerWaalsContact CD1-CB 3.44Å; F895-V1149 HydrophobicContact CD1-CG1 3.44Å; F895-V1149 VanDerWaalsContact CD1-CG1 3.44Å; F895-V1149 HydrophobicContact CE1-CB 3.9Å; F895-V1149 HydrophobicContact CE1-CG1 3.74Å; F895-V1149 HydrophobicContact CG-CB 4.2Å |
| 1150 | G | 24.8 | Very low | 25.4 | Very low | 45 Ų | 45 | 82 Ų | 82 | 46% | 0.464 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -85.2 | -14.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | F895 C1152 | F895-G1150 VanDerWaalsContact CZ-N 3.28Å; G1150-C1152 PolarHBondContact O-N 2.98Å |
| 1151 | A | 24.6 | Very low | 27.3 | Very low | 69 Ų | 69 | 79.8 Ų | 79.8 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | trans | -90.2 | 83.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1152 | C | 25.4 | Very low | 29.2 | Very low | 85 Ų | 85 | 77 Ų | 77 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -147.6 | 12.4 | 164.5 | -95.8 | 0 | 0 | 0 | 0 | 113.6 | G1150 | G1150-C1152 PolarHBondContact O-N 2.98Š|
| 1153 | I | 26.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 75 Ų | 75 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -113.6 | -31.1 | -167.7 | -68 | 177.6 | 0 | 0 | 0 | 113.1 | ||
| 1154 | D | 23.8 | Very low | 33.4 | Very low | 134 Ų | 134 | 70.3 Ų | 70.3 | 72% | 0.717 | 44% | 0.444 | S | S | * | . | trans | -74.9 | 156.4 | -179.7 | -59.2 | -52.5 | 0 | 0 | 0 | 112.6 | ||||
| 1155 | I | 25.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 65.8 Ų | 65.8 | 52% | 0.518 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 86.9 | 124.8 | 173 | -55.3 | 178.7 | 0 | 0 | 0 | 116.7 | F1120 | F1120-I1155 HydrophobicContact CD2-CG2 4.26Å; F1120-I1155 HydrophobicContact CE1-CD1 3.83Å; F1120-I1155 HydrophobicContact CE1-CG1 4.33Å; F1120-I1155 HydrophobicContact CE1-CG2 4.28Å; F1120-I1155 HydrophobicContact CE2-CB 4.42Å; F1120-I1155 HydrophobicContact CE2-CG2 3.33Å; F1120-I1155 HydrophobicContact CZ-CB 4.07Å; F1120-I1155 HydrophobicContact CZ-CD1 3.71Å; F1120-I1155 HydrophobicContact CZ-CG1 3.69Å; F1120-I1155 HydrophobicContact CZ-CG2 3.35Å |
| 1156 | L | 24.9 | Very low | 38.2 | Very low | 79 Ų | 79 | 63 Ų | 63 | 41% | 0.414 | 39% | 0.391 | S | S | . | . | trans | 79.1 | 111.4 | 175 | -70 | 157.7 | 0 | 0 | 0 | 118.6 | I1158 | L1156-I1158 PolarHBondContact O-N 2.96Š| ||
| 1157 | P | 24.2 | Very low | 40.7 | Very low | 96 Ų | 96 | 60.7 Ų | 60.7 | 62% | 0.623 | 37% | 0.371 | S | S | * | . | trans | -92 | 90.2 | 179.4 | 35.8 | -31.9 | 0 | 0 | 0 | 112.5 | ||||
| 1158 | I | 28.9 | Very low | 43.4 | Very low | 66 Ų | 66 | 58.7 Ų | 58.7 | 34% | 0.338 | 36% | 0.357 | S | S | . | . | trans | -142 | 79.8 | 176.2 | -46 | 177.1 | 0 | 0 | 0 | 112.5 | T1116 L1156 V1162 | T1116-I1158 WeakPolarHBondContact OG1-CD1 3.32Å; L1156-I1158 PolarHBondContact O-N 2.96Å; I1158-V1162 WeakPolarHBondContact O-CG2 3.11Å | ||
| 1159 | G | 40.3 | Very low | 46.2 | Very low | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | trans | 81.7 | 138 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | C1161 V1162 | G1159-C1161 VanDerWaalsContact C-N 3.29Å; G1159-C1161 PolarHBondContact O-N 3.48Å; G1159-V1162 PolarHBondContact O-N 3.41Å; G1159-V1162 VanDerWaalsContact O-N 3.09Å | ||
| 1160 | T | 48.8 | Very low | 48.6 | Very low | 25 Ų | 25 | 54.2 Ų | 54.2 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -24 | -53.7 | 173.2 | 47.5 | 0 | 0 | 0 | 0 | 117.6 | S763 L766 V1162 H1163 L1164 | S763-T1160 WeakPolarHBondContact OG-CG2 3.37Å; S763-T1160 PolarHBondContact OG-N 3.44Å; L766-T1160 HydrophobicContact CB-CG2 4.3Å; L766-T1160 HydrophobicContact CD2-CG2 3.72Å; T1160-V1162 PolarHBondContact O-N 2.97Å; T1160-H1163 PolarHBondContact O-N 3.3Å; T1160-L1164 PolarHBondContact O-N 2.64Å |
| 1161 | C | 58.2 | Low | 51.2 | Low | 25 Ų | 25 | 52.1 Ų | 52.1 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -34.4 | -170 | -159 | 0 | 0 | 0 | 0 | 112.1 | G1159 H1163 L1164 Q1165 | G1159-C1161 VanDerWaalsContact C-N 3.29Å; G1159-C1161 PolarHBondContact O-N 3.48Å; C1161-H1163 PolarHBondContact O-N 2.66Å; C1161-L1164 PolarHBondContact O-N 3.47Å; C1161-Q1165 WeakPolarHBondContact O-CB 3.44Å; C1161-Q1165 WeakPolarHBondContact O-CG 3.37Å; C1161-Q1165 PolarHBondContact O-N 2.84Å |
| 1162 | V | 61.3 | Low | 54 | Low | 10 Ų | 10 | 48.9 Ų | 48.9 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.4 | -38.6 | -174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | I1158 G1159 T1160 Q1165 R1166 R1287 I1291 | I1158-V1162 WeakPolarHBondContact O-CG2 3.11Å; G1159-V1162 PolarHBondContact O-N 3.41Å; G1159-V1162 VanDerWaalsContact O-N 3.09Å; T1160-V1162 PolarHBondContact O-N 2.97Å; V1162-Q1165 PolarHBondContact O-N 3.47Å; V1162-R1166 WeakPolarHBondContact O-CB 3.45Å; V1162-R1166 WeakPolarHBondContact O-CG 3.47Å; V1162-R1166 PolarHBondContact O-N 2.87Å; V1162-R1287 VanDerWaalsContact CG2-NH1 3.35Å; V1162-I1291 HydrophobicContact CG1-CD1 4.36Å |
| 1163 | H | 62.2 | Low | 56.5 | Low | 70 Ų | 70 | 44.8 Ų | 44.8 | 32% | 0.324 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 176.6 | -69.1 | -69.7 | 0 | 0 | 0 | 111.6 | T1160 C1161 L1167 | T1160-H1163 PolarHBondContact O-N 3.3Å; C1161-H1163 PolarHBondContact O-N 2.66Å; H1163-L1167 WeakPolarHBondContact O-CB 3.47Å; H1163-L1167 PolarHBondContact O-N 2.93Å |
| 1164 | L | 69.3 | Low | 58.8 | Low | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.6 | -41.7 | 175 | -60 | -179.8 | 0 | 0 | 0 | 112 | L766 F851 L1067 T1094 T1160 C1161 L1167 A1168 | L766-L1164 HydrophobicContact CD2-CD1 4.14Å; L766-L1164 HydrophobicContact CD2-CD2 4.42Å; L766-L1164 HydrophobicContact CD2-CG 4.28Å; F851-L1164 HydrophobicContact CE2-CD2 4.5Å; F851-L1164 HydrophobicContact CZ-CD2 3.85Å; L1067-L1164 HydrophobicContact CD2-CB 4.13Å; L1067-L1164 HydrophobicContact CD2-CD2 3.99Å; L1067-L1164 HydrophobicContact CD2-CG 4.46Å; T1094-L1164 HydrophobicContact CG2-CB 4.12Å; T1160-L1164 PolarHBondContact O-N 2.64Å; C1161-L1164 PolarHBondContact O-N 3.47Å; L1164-L1167 PolarHBondContact O-N 3.35Å; L1164-A1168 WeakPolarHBondContact O-CB 3.48Å; L1164-A1168 PolarHBondContact O-N 3.29Å |
| 1165 | Q | 73.2 | Confident | 61.4 | Low | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.3 | -77 | -179 | -33.7 | 0 | 0 | 111.9 | I1095 C1161 V1162 A1168 A1169 S1284 I1291 | I1095-Q1165 PolarHBondContact O-NE2 3.43Å; C1161-Q1165 WeakPolarHBondContact O-CB 3.44Å; C1161-Q1165 WeakPolarHBondContact O-CG 3.37Å; C1161-Q1165 PolarHBondContact O-N 2.84Å; V1162-Q1165 PolarHBondContact O-N 3.47Å; Q1165-A1168 PolarHBondContact O-N 3.49Å; Q1165-A1169 WeakPolarHBondContact O-CB 3.19Å; Q1165-A1169 PolarHBondContact O-N 3.17Å; Q1165-S1284 PolarHBondContact NE2-O 3.05Å; Q1165-I1291 HydrophobicContact CB-CD1 4.45Å |
| 1166 | R | 69.1 | Low | 63.9 | Low | 82 Ų | 82 | 32.2 Ų | 32.2 | 31% | 0.309 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.7 | -75.7 | -178.6 | -175.9 | -175.1 | 6.6 | 112 | V1162 S1170 I1291 | V1162-R1166 WeakPolarHBondContact O-CB 3.45Å; V1162-R1166 WeakPolarHBondContact O-CG 3.47Å; V1162-R1166 PolarHBondContact O-N 2.87Å; R1166-S1170 WeakPolarHBondContact O-CB 3.31Å; R1166-S1170 PolarHBondContact O-N 3.45Å; R1166-I1291 HydrophobicContact CB-CG2 4.41Å; R1166-I1291 HydrophobicContact CG-CD1 4.34Å; R1166-I1291 HydrophobicContact CG-CG2 3.84Å |
| 1167 | L | 73.9 | Confident | 66.2 | Low | 48 Ų | 48 | 29.2 Ų | 29.2 | 25% | 0.251 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 176.5 | -178.9 | 68.1 | 0 | 0 | 0 | 111.6 | L855 H1163 L1164 S1170 C1171 | L855-L1167 HydrophobicContact CD2-CD2 3.48Å; L855-L1167 VanDerWaalsContact CD2-CD2 3.48Å; H1163-L1167 WeakPolarHBondContact O-CB 3.47Å; H1163-L1167 PolarHBondContact O-N 2.93Å; L1164-L1167 PolarHBondContact O-N 3.35Å; L1167-S1170 PolarHBondContact O-N 2.99Å; L1167-C1171 PolarHBondContact O-N 2.98Å; L1167-C1171 PolarHBondContact O-SG 3.28Å |
| 1168 | A | 80.3 | Confident | 68.4 | Low | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1067 L1091 T1094 I1095 L1164 Q1165 S1170 C1171 L1172 | L1067-A1168 HydrophobicContact CD1-CB 3.84Å; L1091-A1168 HydrophobicContact CD2-CB 4.04Å; T1094-A1168 HydrophobicContact CG2-CB 3.74Å; I1095-A1168 HydrophobicContact CD1-CB 4.42Å; I1095-A1168 HydrophobicContact CG1-CB 3.99Å; L1164-A1168 WeakPolarHBondContact O-CB 3.48Å; L1164-A1168 PolarHBondContact O-N 3.29Å; Q1165-A1168 PolarHBondContact O-N 3.49Å; A1168-S1170 PolarHBondContact O-N 3.4Å; A1168-C1171 PolarHBondContact O-N 3.04Å; A1168-L1172 WeakPolarHBondContact O-CB 3.31Å; A1168-L1172 PolarHBondContact O-N 3.46Å |
| 1169 | A | 80.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q1165 A1173 I1291 C1295 | Q1165-A1169 WeakPolarHBondContact O-CB 3.19Å; Q1165-A1169 PolarHBondContact O-N 3.17Å; A1169-A1173 WeakPolarHBondContact O-CB 3.47Å; A1169-A1173 PolarHBondContact O-N 3.34Å; A1169-I1291 HydrophobicContact CB-CG2 3.73Å; A1169-C1295 HydrophobicContact CB-CB 4.23Å |
| 1170 | S | 74.7 | Confident | 71.8 | Confident | 63 Ų | 63 | 23.9 Ų | 23.9 | 44% | 0.441 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | R1166 L1167 A1168 L1172 A1173 R1174 | R1166-S1170 WeakPolarHBondContact O-CB 3.31Å; R1166-S1170 PolarHBondContact O-N 3.45Å; L1167-S1170 PolarHBondContact O-N 2.99Å; A1168-S1170 PolarHBondContact O-N 3.4Å; S1170-L1172 VanDerWaalsContact C-N 3.35Å; S1170-L1172 PolarHBondContact O-N 3.11Å; S1170-A1173 PolarHBondContact O-N 3.32Å; S1170-R1174 PolarHBondContact O-N 2.94Å |
| 1171 | C | 79.3 | Confident | 72.5 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.7 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | A1074 L1091 L1167 A1168 R1174 L1175 | A1074-C1171 HydrophobicContact CB-CB 3.75Å; L1091-C1171 HydrophobicContact CD1-CB 4.44Å; L1091-C1171 HydrophobicContact CD2-CB 3.91Å; L1167-C1171 PolarHBondContact O-N 2.98Å; L1167-C1171 PolarHBondContact O-SG 3.28Å; A1168-C1171 PolarHBondContact O-N 3.04Å; C1171-R1174 PolarHBondContact O-N 3.21Å; C1171-L1175 WeakPolarHBondContact O-CB 3.28Å; C1171-L1175 WeakPolarHBondContact O-CG 3.39Å; C1171-L1175 PolarHBondContact O-N 2.83Å |
| 1172 | L | 84.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 174.2 | -175 | 65.8 | 0 | 0 | 0 | 111.4 | L1091 M1092 I1095 A1168 S1170 L1175 L1176 V1212 L1216 | L1091-L1172 HydrophobicContact CD1-CB 4.39Å; L1091-L1172 HydrophobicContact CD1-CD1 4.4Å; M1092-L1172 HydrophobicContact SD-CD2 3.89Å; I1095-L1172 HydrophobicContact CD1-CB 4.5Å; I1095-L1172 HydrophobicContact CD1-CD2 3.48Å; I1095-L1172 VanDerWaalsContact CD1-CD2 3.48Å; A1168-L1172 WeakPolarHBondContact O-CB 3.31Å; A1168-L1172 PolarHBondContact O-N 3.46Å; S1170-L1172 VanDerWaalsContact C-N 3.35Å; S1170-L1172 PolarHBondContact O-N 3.11Å; L1172-L1175 PolarHBondContact O-N 2.98Å; L1172-L1176 HydrophobicContact CG-CD1 4.23Å; L1172-L1176 VanDerWaalsContact O-CG 3.26Å; L1172-L1176 WeakPolarHBondContact O-CG 3.3Å; L1172-L1176 PolarHBondContact O-N 3.02Å; L1172-V1212 HydrophobicContact CD1-CG1 4.08Å; L1172-V1212 HydrophobicContact CD2-CG1 3.81Å; L1172-V1212 HydrophobicContact CG-CG1 4.23Å; L1172-L1216 HydrophobicContact CD2-CD1 4.22Å |
| 1173 | A | 77.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1169 S1170 L1176 W1177 C1295 I1296 T1299 | A1169-A1173 WeakPolarHBondContact O-CB 3.47Å; A1169-A1173 PolarHBondContact O-N 3.34Å; S1170-A1173 PolarHBondContact O-N 3.32Å; A1173-L1176 PolarHBondContact O-N 3.07Å; A1173-W1177 PolarHBondContact O-N 2.72Å; A1173-C1295 HydrophobicContact CB-CB 4.11Å; A1173-I1296 HydrophobicContact CB-CB 4.46Å; A1173-I1296 HydrophobicContact CB-CG1 3.9Å; A1173-T1299 HydrophobicContact CB-CG2 4.48Å; A1173-T1299 WeakPolarHBondContact CB-OG1 3.44Å |
| 1174 | R | 74.4 | Confident | 72.6 | Confident | 47 Ų | 47 | 30 Ų | 30 | 18% | 0.177 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.9 | -175.4 | 64.4 | 177.7 | -167.8 | 0.2 | 112.1 | D902 N1077 S1170 C1171 W1177 L1178 | D902-R1174 IonicContact OD2-NH1 3.85Å; D902-R1174 IonicContact OD2-NH2 3.47Å; N1077-R1174 PolarHBondContact OD1-NH2 2.91Å; S1170-R1174 PolarHBondContact O-N 2.94Å; C1171-R1174 PolarHBondContact O-N 3.21Å; R1174-W1177 VanDerWaalsContact CZ-CZ3 3.45Å; R1174-W1177 VanDerWaalsContact NH1-CZ3 3.31Å; R1174-W1177 PolarHBondContact O-N 2.7Å; R1174-L1178 HydrophobicContact CG-CD1 4.2Å; R1174-L1178 HydrophobicContact CG-CG 4.48Å; R1174-L1178 WeakPolarHBondContact O-CG 3.39Å; R1174-L1178 PolarHBondContact O-N 3.09Å |
| 1175 | L | 78.6 | Confident | 71.8 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 175 | -83.1 | 171.3 | 0 | 0 | 0 | 112.5 | A1074 L1080 L1087 L1091 C1171 L1172 W1177 L1178 E1179 | A1074-L1175 HydrophobicContact CB-CD1 3.89Å; A1074-L1175 HydrophobicContact CB-CD2 4.19Å; A1074-L1175 HydrophobicContact CB-CG 3.72Å; L1080-L1175 HydrophobicContact CD2-CD2 3.69Å; L1087-L1175 HydrophobicContact CB-CD1 4.07Å; L1087-L1175 HydrophobicContact CD1-CD1 4.33Å; L1087-L1175 HydrophobicContact CD1-CD2 3.97Å; L1091-L1175 HydrophobicContact CD1-CD1 3.44Å; L1091-L1175 VanDerWaalsContact CD1-CD1 3.44Å; C1171-L1175 WeakPolarHBondContact O-CB 3.28Å; C1171-L1175 WeakPolarHBondContact O-CG 3.39Å; C1171-L1175 PolarHBondContact O-N 2.83Å; L1172-L1175 PolarHBondContact O-N 2.98Å; L1175-W1177 VanDerWaalsContact C-N 3.31Å; L1175-W1177 PolarHBondContact O-N 2.84Å; L1175-L1178 PolarHBondContact O-N 3.07Å; L1175-E1179 WeakPolarHBondContact O-CB 3.41Å; L1175-E1179 PolarHBondContact O-N 3.48Å |
| 1176 | L | 77.3 | Confident | 70.5 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -36.4 | 177.6 | -69.4 | 170.4 | 0 | 0 | 0 | 111.9 | L1172 A1173 W1180 A1209 V1212 I1296 F1300 | L1172-L1176 HydrophobicContact CG-CD1 4.23Å; L1172-L1176 VanDerWaalsContact O-CG 3.26Å; L1172-L1176 WeakPolarHBondContact O-CG 3.3Å; L1172-L1176 PolarHBondContact O-N 3.02Å; A1173-L1176 PolarHBondContact O-N 3.07Å; L1176-W1180 WeakPolarHBondContact O-CB 3.32Å; L1176-W1180 PolarHBondContact O-N 3.46Å; L1176-A1209 HydrophobicContact CD2-CB 3.56Å; L1176-V1212 HydrophobicContact CD1-CG1 4.18Å; L1176-I1296 HydrophobicContact CD1-CD1 3.69Å; L1176-I1296 HydrophobicContact CD1-CG1 3.98Å; L1176-F1300 HydrophobicContact CB-CE2 4.33Å |
| 1177 | W | 74.2 | Confident | 69.1 | Low | 16 Ų | 16 | 38.2 Ų | 38.2 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.2 | -42.8 | 174.2 | -179.9 | 84.3 | 0 | 0 | 0 | 112.8 | A1173 R1174 L1175 W1180 K1181 T1299 F1300 L1303 | A1173-W1177 PolarHBondContact O-N 2.72Å; R1174-W1177 VanDerWaalsContact CZ-CZ3 3.45Å; R1174-W1177 VanDerWaalsContact NH1-CZ3 3.31Å; R1174-W1177 PolarHBondContact O-N 2.7Å; L1175-W1177 VanDerWaalsContact C-N 3.31Å; L1175-W1177 PolarHBondContact O-N 2.84Å; W1177-W1180 PolarHBondContact O-N 3.16Å; W1177-K1181 HydrophobicContact CH2-CD 3.64Å; W1177-K1181 HydrophobicContact CZ2-CD 3.9Å; W1177-K1181 HydrophobicContact CZ3-CD 4.03Å; W1177-K1181 WeakPolarHBondContact O-CB 3.3Å; W1177-K1181 PolarHBondContact O-N 3.06Å; W1177-T1299 HydrophobicContact CB-CG2 4.22Å; W1177-T1299 HydrophobicContact CG-CG2 4.5Å; W1177-F1300 HydrophobicContact CB-CE2 3.94Å; W1177-F1300 HydrophobicContact CB-CZ 4.16Å; W1177-L1303 HydrophobicContact CD2-CD1 3.59Å; W1177-L1303 VanDerWaalsContact CE2-CD1 3.43Å; W1177-L1303 HydrophobicContact CE3-CD1 4.15Å; W1177-L1303 HydrophobicContact CG-CD1 3.87Å; W1177-L1303 HydrophobicContact CH2-CD1 4.3Å; W1177-L1303 HydrophobicContact CZ2-CB 3.97Å; W1177-L1303 HydrophobicContact CZ2-CD1 3.81Å; W1177-L1303 HydrophobicContact CZ2-CD2 4.42Å; W1177-L1303 HydrophobicContact CZ2-CG 4.28Å; W1177-L1303 HydrophobicContact CZ3-CD1 4.48Å |
| 1178 | L | 69.4 | Low | 67.3 | Low | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 174.9 | -73.5 | 172.6 | 0 | 0 | 0 | 111.8 | R1174 L1175 K1181 M1182 | R1174-L1178 HydrophobicContact CG-CD1 4.2Å; R1174-L1178 HydrophobicContact CG-CG 4.48Å; R1174-L1178 WeakPolarHBondContact O-CG 3.39Å; R1174-L1178 PolarHBondContact O-N 3.09Å; L1175-L1178 PolarHBondContact O-N 3.07Å; L1178-K1181 PolarHBondContact O-N 2.97Å; L1178-M1182 WeakPolarHBondContact O-CG 3.31Å; L1178-M1182 PolarHBondContact O-N 3.09Å |
| 1179 | E | 71.2 | Confident | 65 | Low | 25 Ų | 25 | 47.1 Ų | 47.1 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.4 | -173.5 | 176.6 | -140.7 | 0 | 0 | 111.2 | L1084 L1175 L1183 S1206 | L1084-E1179 HydrophobicContact CD1-CG 4.4Å; L1084-E1179 WeakPolarHBondContact CD1-OE1 3.36Å; L1175-E1179 WeakPolarHBondContact O-CB 3.41Å; L1175-E1179 PolarHBondContact O-N 3.48Å; E1179-L1183 HydrophobicContact CG-CD1 4.36Å; E1179-L1183 WeakPolarHBondContact O-CD1 3.49Å; E1179-L1183 VanDerWaalsContact O-CG 3.3Å; E1179-L1183 WeakPolarHBondContact O-CG 3.48Å; E1179-L1183 PolarHBondContact O-N 3.39Å; E1179-S1206 VanDerWaalsContact CD-OG 3.24Å; E1179-S1206 WeakPolarHBondContact OE1-CB 3.35Å; E1179-S1206 PolarHBondContact OE1-OG 3.41Å; E1179-S1206 VanDerWaalsContact OE2-CB 3.3Å; E1179-S1206 WeakPolarHBondContact OE2-CB 3.47Å; E1179-S1206 PolarHBondContact OE2-OG 3.14Å |
| 1180 | W | 69.8 | Low | 62.6 | Low | 42 Ų | 42 | 54.7 Ų | 54.7 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.4 | 179.8 | 87.4 | 0 | 0 | 0 | 112.5 | L1176 W1177 M1182 L1183 S1184 F1300 Y1304 L1342 G1343 | L1176-W1180 WeakPolarHBondContact O-CB 3.32Å; L1176-W1180 PolarHBondContact O-N 3.46Å; W1177-W1180 PolarHBondContact O-N 3.16Å; W1180-M1182 PolarHBondContact O-N 2.82Å; W1180-L1183 WeakPolarHBondContact O-CB 3.41Å; W1180-L1183 PolarHBondContact O-N 2.93Å; W1180-L1183 VanDerWaalsContact O-N 3.09Å; W1180-S1184 PolarHBondContact O-N 3.23Å; W1180-S1184 PolarHBondContact O-OG 3.25Å; W1180-F1300 HydrophobicContact CB-CE1 4.14Å; W1180-F1300 HydrophobicContact CB-CZ 4.18Å; W1180-F1300 HydrophobicContact CD2-CE1 4.25Å; W1180-F1300 HydrophobicContact CG-CE1 4.03Å; W1180-Y1304 HydrophobicContact CH2-CD2 4.03Å; W1180-Y1304 AromaticContact CH2-CE2 3.77Å; W1180-Y1304 HydrophobicContact CH2-CE2 3.77Å; W1180-Y1304 HydrophobicContact CZ2-CE2 4.07Å; W1180-L1342 PolarHBondContact NE1-O 3.27Å; W1180-G1343 PolarHBondContact NE1-O 2.65Å |
| 1181 | K | 64.4 | Low | 60.4 | Low | 42 Ų | 42 | 55.1 Ų | 55.1 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 179 | -171.1 | 168.8 | -176.2 | 170.2 | 0 | 112.5 | W1177 L1178 L1183 S1184 T1185 | W1177-K1181 HydrophobicContact CH2-CD 3.64Å; W1177-K1181 HydrophobicContact CZ2-CD 3.9Å; W1177-K1181 HydrophobicContact CZ3-CD 4.03Å; W1177-K1181 WeakPolarHBondContact O-CB 3.3Å; W1177-K1181 PolarHBondContact O-N 3.06Å; L1178-K1181 PolarHBondContact O-N 2.97Å; K1181-L1183 VanDerWaalsContact C-N 3.28Å; K1181-L1183 PolarHBondContact O-N 3.5Å; K1181-S1184 PolarHBondContact O-N 3.17Å; K1181-S1184 PolarHBondContact O-OG 3.28Å; K1181-S1184 VanDerWaalsContact O-OG 3.1Å; K1181-T1185 WeakPolarHBondContact O-CG2 3.39Å; K1181-T1185 PolarHBondContact O-N 3.36Å; K1181-T1185 PolarHBondContact O-OG1 3.11Å |
| 1182 | M | 63.9 | Low | 58.3 | Low | 111 Ų | 111 | 60.3 Ų | 60.3 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.8 | -28.2 | 173.9 | -72.6 | -74.1 | -174.3 | 0 | 0 | 113.1 | L1178 W1180 T1185 N1186 | L1178-M1182 WeakPolarHBondContact O-CG 3.31Å; L1178-M1182 PolarHBondContact O-N 3.09Å; W1180-M1182 PolarHBondContact O-N 2.82Å; M1182-T1185 PolarHBondContact O-OG1 3.25Å; M1182-N1186 PolarHBondContact O-ND2 3.06Å |
| 1183 | L | 62.3 | Low | 55.9 | Low | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -80.4 | -34.7 | 176.3 | -70.6 | 166.7 | 0 | 0 | 0 | 112.2 | E1179 W1180 K1181 | E1179-L1183 HydrophobicContact CG-CD1 4.36Å; E1179-L1183 WeakPolarHBondContact O-CD1 3.49Å; E1179-L1183 VanDerWaalsContact O-CG 3.3Å; E1179-L1183 WeakPolarHBondContact O-CG 3.48Å; E1179-L1183 PolarHBondContact O-N 3.39Å; W1180-L1183 WeakPolarHBondContact O-CB 3.41Å; W1180-L1183 PolarHBondContact O-N 2.93Å; W1180-L1183 VanDerWaalsContact O-N 3.09Å; K1181-L1183 VanDerWaalsContact C-N 3.28Å; K1181-L1183 PolarHBondContact O-N 3.5Å |
| 1184 | S | 56.4 | Low | 53.8 | Low | 36 Ų | 36 | 67.7 Ų | 67.7 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.8 | -31.2 | -178.8 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | W1180 K1181 N1186 L1187 | W1180-S1184 PolarHBondContact O-N 3.23Å; W1180-S1184 PolarHBondContact O-OG 3.25Å; K1181-S1184 PolarHBondContact O-N 3.17Å; K1181-S1184 PolarHBondContact O-OG 3.28Å; K1181-S1184 VanDerWaalsContact O-OG 3.1Å; S1184-N1186 PolarHBondContact O-N 3.4Å; S1184-L1187 PolarHBondContact O-N 3.07Å |
| 1185 | T | 52.8 | Low | 52 | Low | 58 Ų | 58 | 70.2 Ų | 70.2 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -3.2 | 178.1 | 48.3 | 0 | 0 | 0 | 0 | 115.3 | K1181 M1182 | K1181-T1185 WeakPolarHBondContact O-CG2 3.39Å; K1181-T1185 PolarHBondContact O-N 3.36Å; K1181-T1185 PolarHBondContact O-OG1 3.11Å; M1182-T1185 PolarHBondContact O-OG1 3.25Å |
| 1186 | N | 46.5 | Very low | 49.9 | Very low | 133 Ų | 133 | 76.1 Ų | 76.1 | 71% | 0.711 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 6.8 | 179.2 | -72.5 | -64.3 | 0 | 0 | 0 | 114.3 | M1182 S1184 | M1182-N1186 PolarHBondContact O-ND2 3.06Å; S1184-N1186 PolarHBondContact O-N 3.4Å |
| 1187 | L | 40.2 | Very low | 47.9 | Very low | 78 Ų | 78 | 80.9 Ų | 80.9 | 41% | 0.408 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -87 | 135.6 | 175.8 | -86.6 | 80.5 | 0 | 0 | 0 | 112.2 | S1184 | S1184-L1187 PolarHBondContact O-N 3.07Š|
| 1188 | P | 35.1 | Very low | 45.7 | Very low | 114 Ų | 114 | 84.4 Ų | 84.4 | 74% | 0.74 | 49% | 0.485 | S | S | * | . | trans | -72.5 | 142.1 | 177.2 | 29.9 | -34.5 | 0 | 0 | 0 | 112.1 | Q1190 | P1188-Q1190 PolarHBondContact O-N 3.28Å; P1188-Q1190 VanDerWaalsContact O-N 3.08Å | ||
| 1189 | S | 33.2 | Very low | 44.2 | Very low | 121 Ų | 121 | 93.3 Ų | 93.3 | 85% | 0.846 | 52% | 0.523 | S | S | * | . | trans | -67.3 | 100.9 | -177.9 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1190 | Q | 29 | Very low | 42.6 | Very low | 160 Ų | 160 | 96.9 Ų | 96.9 | 75% | 0.748 | 55% | 0.55 | S | S | * | * | trans | -134 | 153.4 | 164.4 | -70 | -164.5 | -5.8 | 0 | 0 | 110.9 | P1188 | P1188-Q1190 PolarHBondContact O-N 3.28Å; P1188-Q1190 VanDerWaalsContact O-N 3.08Å | ||
| 1191 | S | 29.4 | Very low | 41 | Very low | 72 Ų | 72 | 99.5 Ų | 99.5 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | trans | -54.5 | 137.9 | -162.9 | 51.1 | 0 | 0 | 0 | 0 | 115.6 | S1193 T1194 | S1191-S1193 PolarHBondContact O-N 3.11Å; S1191-T1194 PolarHBondContact O-N 3.07Å; S1191-T1194 VanDerWaalsContact O-N 3.16Å; S1191-T1194 PolarHBondContact O-OG1 3.21Å | ||
| 1192 | S | 33.7 | Very low | 39.9 | Very low | 111 Ų | 111 | 102.2 Ų | 102.2 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -10.7 | -173.7 | -32.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1193 | S | 34.3 | Very low | 39 | Very low | 88 Ų | 88 | 99 Ų | 99 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -22.7 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | S1191 | S1191-S1193 PolarHBondContact O-N 3.11Š|
| 1194 | T | 34.1 | Very low | 38.3 | Very low | 67 Ų | 67 | 103 Ų | 103 | 41% | 0.411 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -96.1 | -9.7 | -175.2 | 39.8 | 0 | 0 | 0 | 0 | 114.7 | S1191 L1196 T1197 | S1191-T1194 PolarHBondContact O-N 3.07Å; S1191-T1194 VanDerWaalsContact O-N 3.16Å; S1191-T1194 PolarHBondContact O-OG1 3.21Å; T1194-L1196 VanDerWaalsContact C-N 3.31Å; T1194-L1196 PolarHBondContact O-N 3.44Å; T1194-T1197 PolarHBondContact O-OG1 3.32Å |
| 1195 | L | 35.2 | Very low | 38 | Very low | 100 Ų | 100 | 103.2 Ų | 103.2 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -20.1 | 177 | -86.7 | 155.2 | 0 | 0 | 0 | 114 | T1197 | L1195-T1197 VanDerWaalsContact C-N 3.35Å; L1195-T1197 PolarHBondContact O-N 3.46Å |
| 1196 | L | 35.3 | Very low | 38.4 | Very low | 130 Ų | 130 | 101.7 Ų | 101.7 | 68% | 0.681 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -16.3 | -176.7 | -79.7 | 160.5 | 0 | 0 | 0 | 114.6 | T1194 | T1194-L1196 VanDerWaalsContact C-N 3.31Å; T1194-L1196 PolarHBondContact O-N 3.44Å |
| 1197 | T | 35.5 | Very low | 39.3 | Very low | 110 Ų | 110 | 104.6 Ų | 104.6 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -24.6 | -171.5 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | T1194 L1195 K1199 | T1194-T1197 PolarHBondContact O-OG1 3.32Å; L1195-T1197 VanDerWaalsContact C-N 3.35Å; L1195-T1197 PolarHBondContact O-N 3.46Å; T1197-K1199 PolarHBondContact O-N 2.97Å |
| 1198 | N | 29 | Very low | 40.6 | Very low | 90 Ų | 90 | 102.2 Ų | 102.2 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | trans | -93.5 | 99.6 | -176.8 | -83.4 | -38.6 | 0 | 0 | 0 | 113.1 | S1200 L1201 | N1198-S1200 PolarHBondContact O-N 3.22Å; N1198-L1201 HydrophobicContact CB-CD1 4.11Å; N1198-L1201 PolarHBondContact O-N 3.29Å | ||
| 1199 | K | 36.1 | Very low | 42.1 | Very low | 204 Ų | 204 | 97.4 Ų | 97.4 | 89% | 0.887 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -7.8 | 174.4 | -78.5 | 177.2 | 177 | 167.4 | 0 | 115.4 | T1197 | T1197-K1199 PolarHBondContact O-N 2.97Š|
| 1200 | S | 38 | Very low | 43.7 | Very low | 99 Ų | 99 | 94.3 Ų | 94.3 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -6.8 | -173.4 | 48.8 | 0 | 0 | 0 | 0 | 115.5 | N1198 | N1198-S1200 PolarHBondContact O-N 3.22Š|
| 1201 | L | 36.8 | Very low | 46 | Very low | 97 Ų | 97 | 93.3 Ų | 93.3 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | trans | -114.9 | 7.7 | -167.9 | -82.3 | 157.6 | 0 | 0 | 0 | 115.4 | N1198 | N1198-L1201 HydrophobicContact CB-CD1 4.11Å; N1198-L1201 PolarHBondContact O-N 3.29Å | ||
| 1202 | L | 42.1 | Very low | 48.4 | Very low | 99 Ų | 99 | 90.1 Ų | 90.1 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | trans | -66.5 | 128.1 | 175.4 | -80.7 | 147.4 | 0 | 0 | 0 | 110.7 | N1204 L1342 | L1202-N1204 PolarHBondContact O-N 3.08Å; L1202-L1342 HydrophobicContact CD2-CD2 4.48Å | ||
| 1203 | P | 44.8 | Very low | 50.3 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 28% | 0.279 | 46% | 0.463 | S | S | . | . | trans | -63.5 | 124.9 | 176.9 | 25.3 | -32.6 | 0 | 0 | 0 | 110 | T1205 | P1203-T1205 PolarHBondContact O-N 3.12Š| ||
| 1204 | N | 46 | Very low | 52.1 | Low | 152 Ų | 152 | 88.4 Ų | 88.4 | 81% | 0.813 | 47% | 0.466 | S | S | * | . | trans | -60.8 | 112.3 | 174.6 | -81.7 | -46 | 0 | 0 | 0 | 109.3 | L1202 S1206 | L1202-N1204 PolarHBondContact O-N 3.08Å; N1204-S1206 PolarHBondContact O-N 2.98Å | ||
| 1205 | T | 50.1 | Low | 54.2 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 25% | 0.252 | 46% | 0.46 | S | S | . | . | trans | -50.4 | 139.9 | 167.5 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | P1203 K1207 T1210 P1345 | P1203-T1205 PolarHBondContact O-N 3.12Å; T1205-K1207 PolarHBondContact O-N 3.48Å; T1205-T1210 PolarHBondContact OG1-OG1 3.32Å; T1205-T1210 VanDerWaalsContact OG1-OG1 3.05Å; T1205-P1345 HydrophobicContact CG2-CB 3.95Å; T1205-P1345 HydrophobicContact CG2-CG 3.77Å | ||
| 1206 | S | 61.8 | Low | 56.2 | Low | 27 Ų | 27 | 83 Ų | 83 | 19% | 0.189 | 44% | 0.435 | C | S | . | . | trans | -51.8 | 139.9 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | E1179 N1204 A1208 A1209 T1210 | E1179-S1206 VanDerWaalsContact CD-OG 3.24Å; E1179-S1206 WeakPolarHBondContact OE1-CB 3.35Å; E1179-S1206 PolarHBondContact OE1-OG 3.41Å; E1179-S1206 VanDerWaalsContact OE2-CB 3.3Å; E1179-S1206 WeakPolarHBondContact OE2-CB 3.47Å; E1179-S1206 PolarHBondContact OE2-OG 3.14Å; N1204-S1206 PolarHBondContact O-N 2.98Å; S1206-A1208 PolarHBondContact O-N 3.43Å; S1206-A1208 VanDerWaalsContact O-N 3.16Å; S1206-A1208 WeakPolarHBondContact OG-CB 3.43Å; S1206-A1208 PolarHBondContact OG-N 3.15Å; S1206-A1209 PolarHBondContact O-N 3.49Å; S1206-T1210 PolarHBondContact O-N 3.01Å; S1206-T1210 PolarHBondContact O-OG1 2.96Å | ||
| 1207 | K | 66.8 | Low | 57.6 | Low | 193 Ų | 193 | 77.4 Ų | 77.4 | 84% | 0.839 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -57.2 | -26.9 | 170.5 | -68.1 | -177.6 | -179.7 | 177.5 | 0 | 111.3 | T1205 K1211 | T1205-K1207 PolarHBondContact O-N 3.48Å; K1207-K1211 VanDerWaalsContact O-CB 3.27Å; K1207-K1211 WeakPolarHBondContact O-CB 3.28Å; K1207-K1211 PolarHBondContact O-N 3.05Å |
| 1208 | A | 66 | Low | 59.3 | Low | 29 Ų | 29 | 74 Ų | 74 | 24% | 0.24 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.9 | -54.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | I1088 S1206 T1210 K1211 V1212 | I1088-A1208 HydrophobicContact CD1-CB 3.82Å; S1206-A1208 PolarHBondContact O-N 3.43Å; S1206-A1208 VanDerWaalsContact O-N 3.16Å; S1206-A1208 WeakPolarHBondContact OG-CB 3.43Å; S1206-A1208 PolarHBondContact OG-N 3.15Å; A1208-T1210 VanDerWaalsContact C-N 3.35Å; A1208-T1210 PolarHBondContact O-N 3.17Å; A1208-K1211 PolarHBondContact O-N 3.41Å; A1208-V1212 WeakPolarHBondContact O-CG2 3.09Å; A1208-V1212 PolarHBondContact O-N 3.03Å |
| 1209 | A | 67.4 | Low | 61.3 | Low | 13 Ų | 13 | 71 Ų | 71 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53 | -47.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1176 S1206 K1211 V1212 I1213 | L1176-A1209 HydrophobicContact CD2-CB 3.56Å; S1206-A1209 PolarHBondContact O-N 3.49Å; A1209-K1211 VanDerWaalsContact C-N 3.31Å; A1209-K1211 PolarHBondContact O-N 2.94Å; A1209-V1212 PolarHBondContact O-N 3.46Å; A1209-I1213 WeakPolarHBondContact O-CG1 3.39Å; A1209-I1213 PolarHBondContact O-N 3.26Å |
| 1210 | T | 67.6 | Low | 62.5 | Low | 55 Ų | 55 | 61.9 Ų | 61.9 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | T1205 S1206 A1208 K1214 | T1205-T1210 PolarHBondContact OG1-OG1 3.32Å; T1205-T1210 VanDerWaalsContact OG1-OG1 3.05Å; S1206-T1210 PolarHBondContact O-N 3.01Å; S1206-T1210 PolarHBondContact O-OG1 2.96Å; A1208-T1210 VanDerWaalsContact C-N 3.35Å; A1208-T1210 PolarHBondContact O-N 3.17Å; T1210-K1214 WeakPolarHBondContact O-CB 3.36Å; T1210-K1214 PolarHBondContact O-N 3.22Å |
| 1211 | K | 76.9 | Confident | 63.3 | Low | 140 Ų | 140 | 59.5 Ų | 59.5 | 61% | 0.609 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.5 | -40.5 | 177.2 | -174.7 | 176.3 | 180 | -179.7 | 0 | 112.3 | K1207 A1208 A1209 K1214 N1215 | K1207-K1211 VanDerWaalsContact O-CB 3.27Å; K1207-K1211 WeakPolarHBondContact O-CB 3.28Å; K1207-K1211 PolarHBondContact O-N 3.05Å; A1208-K1211 PolarHBondContact O-N 3.41Å; A1209-K1211 VanDerWaalsContact C-N 3.31Å; A1209-K1211 PolarHBondContact O-N 2.94Å; K1211-K1214 PolarHBondContact O-N 2.99Å; K1211-N1215 WeakPolarHBondContact O-CB 3.23Å; K1211-N1215 VanDerWaalsContact O-CG 3.31Å; K1211-N1215 PolarHBondContact O-N 2.99Å; K1211-N1215 PolarHBondContact O-OD1 3.42Å |
| 1212 | V | 79 | Confident | 64 | Low | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -52.2 | 174.8 | 168.2 | 0 | 0 | 0 | 0 | 110.3 | I1088 M1092 L1172 L1176 A1208 A1209 K1214 N1215 L1216 | I1088-V1212 HydrophobicContact CD1-CG2 4.26Å; I1088-V1212 HydrophobicContact CG2-CG2 3.4Å; M1092-V1212 HydrophobicContact SD-CG1 4.08Å; L1172-V1212 HydrophobicContact CD1-CG1 4.08Å; L1172-V1212 HydrophobicContact CD2-CG1 3.81Å; L1172-V1212 HydrophobicContact CG-CG1 4.23Å; L1176-V1212 HydrophobicContact CD1-CG1 4.18Å; A1208-V1212 WeakPolarHBondContact O-CG2 3.09Å; A1208-V1212 PolarHBondContact O-N 3.03Å; A1209-V1212 PolarHBondContact O-N 3.46Å; V1212-K1214 VanDerWaalsContact C-N 3.35Å; V1212-K1214 PolarHBondContact O-N 3.47Å; V1212-N1215 PolarHBondContact O-N 2.91Å; V1212-N1215 VanDerWaalsContact O-N 3.16Å; V1212-L1216 HydrophobicContact CG1-CD1 3.95Å; V1212-L1216 HydrophobicContact CG1-CG 4.35Å; V1212-L1216 WeakPolarHBondContact O-CG 3.27Å; V1212-L1216 PolarHBondContact O-N 3.43Å |
| 1213 | I | 74.3 | Confident | 64.1 | Low | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 179.7 | -72.5 | 159.2 | 0 | 0 | 0 | 110.9 | A1209 N1215 L1216 T1217 I1344 S1346 L1347 | A1209-I1213 WeakPolarHBondContact O-CG1 3.39Å; A1209-I1213 PolarHBondContact O-N 3.26Å; I1213-N1215 VanDerWaalsContact C-N 3.32Å; I1213-N1215 PolarHBondContact O-N 3.44Å; I1213-L1216 PolarHBondContact O-N 2.93Å; I1213-T1217 PolarHBondContact O-N 3.17Å; I1213-T1217 PolarHBondContact O-OG1 3.3Å; I1213-I1344 HydrophobicContact CD1-CG2 3.31Å; I1213-S1346 VanDerWaalsContact CD1-OG 3.29Å; I1213-S1346 WeakPolarHBondContact CD1-OG 3.45Å; I1213-L1347 HydrophobicContact CD1-CG 4.29Å; I1213-L1347 HydrophobicContact CG2-CD2 3.49Å; I1213-L1347 VanDerWaalsContact CG2-CD2 3.49Å; I1213-L1347 HydrophobicContact CG2-CG 3.86Å |
| 1214 | K | 72.3 | Confident | 64.2 | Low | 155 Ų | 155 | 57.1 Ų | 57.1 | 67% | 0.674 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59 | -41 | 176 | -172.4 | 179.2 | 179.6 | -176.6 | 0 | 112.7 | T1210 K1211 V1212 S1218 | T1210-K1214 WeakPolarHBondContact O-CB 3.36Å; T1210-K1214 PolarHBondContact O-N 3.22Å; K1211-K1214 PolarHBondContact O-N 2.99Å; V1212-K1214 VanDerWaalsContact C-N 3.35Å; V1212-K1214 PolarHBondContact O-N 3.47Å; K1214-S1218 PolarHBondContact O-N 3.37Å |
| 1215 | N | 78.2 | Confident | 63.8 | Low | 54 Ų | 54 | 52.4 Ų | 52.4 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 177.3 | -73.5 | 15.5 | 0 | 0 | 0 | 112.2 | M1092 K1211 V1212 I1213 T1217 S1218 Y1219 | M1092-N1215 HydrophobicContact CE-CB 3.65Å; K1211-N1215 WeakPolarHBondContact O-CB 3.23Å; K1211-N1215 VanDerWaalsContact O-CG 3.31Å; K1211-N1215 PolarHBondContact O-N 2.99Å; K1211-N1215 PolarHBondContact O-OD1 3.42Å; V1212-N1215 PolarHBondContact O-N 2.91Å; V1212-N1215 VanDerWaalsContact O-N 3.16Å; I1213-N1215 VanDerWaalsContact C-N 3.32Å; I1213-N1215 PolarHBondContact O-N 3.44Å; N1215-T1217 VanDerWaalsContact C-N 3.3Å; N1215-T1217 PolarHBondContact O-N 3.1Å; N1215-S1218 PolarHBondContact O-N 3.04Å; N1215-S1218 PolarHBondContact O-OG 3.27Å; N1215-Y1219 WeakPolarHBondContact O-CD2 3.32Å; N1215-Y1219 VanDerWaalsContact O-CG 3.23Å; N1215-Y1219 PolarHBondContact O-N 2.89Å |
| 1216 | L | 76.4 | Confident | 62.9 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 175.1 | -67.3 | 175.4 | 0 | 0 | 0 | 111.2 | M1092 I1095 L1172 V1212 I1213 L1220 A1289 L1293 I1296 | M1092-L1216 HydrophobicContact CE-CD2 3.94Å; M1092-L1216 HydrophobicContact CE-CG 4.19Å; M1092-L1216 HydrophobicContact SD-CD2 3.93Å; M1092-L1216 HydrophobicContact SD-CG 4.29Å; I1095-L1216 HydrophobicContact CG2-CD2 3.98Å; L1172-L1216 HydrophobicContact CD2-CD1 4.22Å; V1212-L1216 HydrophobicContact CG1-CD1 3.95Å; V1212-L1216 HydrophobicContact CG1-CG 4.35Å; V1212-L1216 WeakPolarHBondContact O-CG 3.27Å; V1212-L1216 PolarHBondContact O-N 3.43Å; I1213-L1216 PolarHBondContact O-N 2.93Å; L1216-L1220 PolarHBondContact O-N 3.25Å; L1216-A1289 HydrophobicContact CD2-CB 4.42Å; L1216-A1289 WeakPolarHBondContact O-CB 3.48Å; L1216-L1293 HydrophobicContact CB-CD1 4.14Å; L1216-L1293 HydrophobicContact CB-CD2 4.47Å; L1216-L1293 HydrophobicContact CB-CG 4.17Å; L1216-L1293 HydrophobicContact CD1-CG 4.37Å; L1216-I1296 HydrophobicContact CD1-CD1 3.65Å |
| 1217 | T | 65.8 | Low | 61.5 | Low | 13 Ų | 13 | 55.4 Ų | 55.4 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 172 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | I1213 N1215 Y1219 L1220 V1221 L1350 | I1213-T1217 PolarHBondContact O-N 3.17Å; I1213-T1217 PolarHBondContact O-OG1 3.3Å; N1215-T1217 VanDerWaalsContact C-N 3.3Å; N1215-T1217 PolarHBondContact O-N 3.1Å; T1217-Y1219 PolarHBondContact O-N 3.3Å; T1217-L1220 PolarHBondContact O-N 3.2Å; T1217-L1220 VanDerWaalsContact O-N 3.15Å; T1217-V1221 WeakPolarHBondContact O-CG2 3.13Å; T1217-V1221 PolarHBondContact O-N 3.5Å; T1217-L1350 HydrophobicContact CG2-CD1 4.36Å; T1217-L1350 HydrophobicContact CG2-CD2 3.64Å; T1217-L1350 WeakPolarHBondContact OG1-CD2 3.5Å |
| 1218 | S | 69.5 | Low | 59.8 | Low | 37 Ų | 37 | 51.2 Ų | 51.2 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | -179.6 | 87.7 | 0 | 0 | 0 | 0 | 112.2 | K1214 N1215 L1220 V1221 E1222 | K1214-S1218 PolarHBondContact O-N 3.37Å; N1215-S1218 PolarHBondContact O-N 3.04Å; N1215-S1218 PolarHBondContact O-OG 3.27Å; S1218-L1220 PolarHBondContact O-N 2.96Å; S1218-V1221 PolarHBondContact O-N 3.14Å; S1218-E1222 VanDerWaalsContact CB-OE1 3.23Å; S1218-E1222 WeakPolarHBondContact CB-OE1 3.32Å; S1218-E1222 WeakPolarHBondContact O-CB 3.23Å; S1218-E1222 VanDerWaalsContact O-CG 3.31Å; S1218-E1222 WeakPolarHBondContact O-CG 3.38Å; S1218-E1222 PolarHBondContact O-N 3.46Å; S1218-E1222 PolarHBondContact OG-OE1 3.22Å |
| 1219 | Y | 70.8 | Confident | 58 | Low | 27 Ų | 27 | 54.4 Ų | 54.4 | 11% | 0.106 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -17 | 173.5 | -61.4 | -18.3 | 0 | 0 | 0 | 114.6 | M1092 N1215 T1217 | M1092-Y1219 HydrophobicContact CE-CE2 3.74Å; N1215-Y1219 WeakPolarHBondContact O-CD2 3.32Å; N1215-Y1219 VanDerWaalsContact O-CG 3.23Å; N1215-Y1219 PolarHBondContact O-N 2.89Å; T1217-Y1219 PolarHBondContact O-N 3.3Å |
| 1220 | L | 61.8 | Low | 56.2 | Low | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85.5 | -21.3 | 170.1 | -70.1 | 177.9 | 0 | 0 | 0 | 113.1 | L1216 T1217 S1218 S1223 A1289 L1293 T1523 | L1216-L1220 PolarHBondContact O-N 3.25Å; T1217-L1220 PolarHBondContact O-N 3.2Å; T1217-L1220 VanDerWaalsContact O-N 3.15Å; S1218-L1220 PolarHBondContact O-N 2.96Å; L1220-S1223 PolarHBondContact O-OG 3.46Å; L1220-A1289 HydrophobicContact CD2-CB 3.92Å; L1220-A1289 HydrophobicContact CG-CB 3.94Å; L1220-L1293 HydrophobicContact CD1-CD1 3.48Å; L1220-L1293 VanDerWaalsContact CD1-CD1 3.48Å; L1220-L1293 HydrophobicContact CG-CD1 4.43Å; L1220-T1523 HydrophobicContact CD1-CG2 3.62Å; L1220-T1523 WeakPolarHBondContact CD1-OG1 3.39Å |
| 1221 | V | 55 | Low | 54.4 | Low | 50 Ų | 50 | 57.4 Ų | 57.4 | 30% | 0.303 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -97.5 | -28.1 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | T1217 S1218 S1223 T1515 | T1217-V1221 WeakPolarHBondContact O-CG2 3.13Å; T1217-V1221 PolarHBondContact O-N 3.5Å; S1218-V1221 PolarHBondContact O-N 3.14Å; V1221-S1223 VanDerWaalsContact C-N 3.25Å; V1221-S1223 PolarHBondContact O-N 2.9Å; V1221-T1515 HydrophobicContact CG1-CG2 4.44Å |
| 1222 | E | 51.2 | Low | 52.1 | Low | 91 Ų | 91 | 54.5 Ų | 54.5 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.2 | -177.8 | -73.7 | 165.2 | -147.8 | 0 | 0 | 114.2 | S1218 | S1218-E1222 VanDerWaalsContact CB-OE1 3.23Å; S1218-E1222 WeakPolarHBondContact CB-OE1 3.32Å; S1218-E1222 WeakPolarHBondContact O-CB 3.23Å; S1218-E1222 VanDerWaalsContact O-CG 3.31Å; S1218-E1222 WeakPolarHBondContact O-CG 3.38Å; S1218-E1222 PolarHBondContact O-N 3.46Å; S1218-E1222 PolarHBondContact OG-OE1 3.22Å |
| 1223 | S | 45.8 | Very low | 49.6 | Very low | 25 Ų | 25 | 57.9 Ų | 57.9 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -17.1 | -170.8 | 48.2 | 0 | 0 | 0 | 0 | 116.4 | L1220 V1221 S1225 H1286 | L1220-S1223 PolarHBondContact O-OG 3.46Å; V1221-S1223 VanDerWaalsContact C-N 3.25Å; V1221-S1223 PolarHBondContact O-N 2.9Å; S1223-S1225 PolarHBondContact O-N 3.45Å; S1223-S1225 VanDerWaalsContact O-N 3.12Å; S1223-H1286 PolarHBondContact OG-CD2 2.84Å; S1223-H1286 VanDerWaalsContact OG-CD2 3.3Å |
| 1224 | D | 45.4 | Very low | 47.3 | Very low | 72 Ų | 72 | 62.8 Ų | 62.8 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | trans | -80.7 | 92.6 | 175.7 | -92 | 12.4 | 0 | 0 | 0 | 110.3 | D1226 F1227 | D1224-D1226 PolarHBondContact O-N 3.32Å; D1224-D1226 VanDerWaalsContact O-N 3.11Å; D1224-F1227 HydrophobicContact CB-CB 3.97Å; D1224-F1227 WeakPolarHBondContact O-CB 3.13Å; D1224-F1227 PolarHBondContact O-N 3.01Å | ||
| 1225 | S | 37.4 | Very low | 45.2 | Very low | 53 Ų | 53 | 60 Ų | 60 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.7 | -25.7 | 169.9 | 50.4 | 0 | 0 | 0 | 0 | 113 | S1223 F1227 L1229 | S1223-S1225 PolarHBondContact O-N 3.45Å; S1223-S1225 VanDerWaalsContact O-N 3.12Å; S1225-F1227 VanDerWaalsContact C-N 3.33Å; S1225-L1229 PolarHBondContact O-N 3.01Å |
| 1226 | D | 31.5 | Very low | 42.7 | Very low | 85 Ų | 85 | 64.4 Ų | 64.4 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.9 | -30.6 | 177.6 | -62 | -3.9 | 0 | 0 | 0 | 112.1 | D1224 T1264 | D1224-D1226 PolarHBondContact O-N 3.32Å; D1224-D1226 VanDerWaalsContact O-N 3.11Å; D1226-T1264 VanDerWaalsContact CG-CG2 3.48Å; D1226-T1264 WeakPolarHBondContact OD1-CG2 3.19Å; D1226-T1264 WeakPolarHBondContact OD2-CG2 3.2Å |
| 1227 | F | 33.1 | Very low | 40.3 | Very low | 47 Ų | 47 | 70.7 Ų | 70.7 | 21% | 0.206 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -75.4 | -43.4 | -179 | -160.3 | -85.8 | 0 | 0 | 0 | 111.5 | D1224 S1225 S1230 L1231 T1515 | D1224-F1227 HydrophobicContact CB-CB 3.97Å; D1224-F1227 WeakPolarHBondContact O-CB 3.13Å; D1224-F1227 PolarHBondContact O-N 3.01Å; S1225-F1227 VanDerWaalsContact C-N 3.33Å; F1227-S1230 PolarHBondContact O-N 2.96Å; F1227-S1230 PolarHBondContact O-OG 3.13Å; F1227-L1231 HydrophobicContact CD1-CD1 3.87Å; F1227-L1231 HydrophobicContact CE1-CD1 3.8Å; F1227-T1515 HydrophobicContact CD1-CG2 4.15Å; F1227-T1515 HydrophobicContact CE1-CG2 3.34Å; F1227-T1515 HydrophobicContact CZ-CG2 3.77Å |
| 1228 | L | 30.2 | Very low | 38.3 | Very low | 104 Ų | 104 | 74.8 Ų | 74.8 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.3 | -33.7 | -177.6 | -72.2 | 173.2 | 0 | 0 | 0 | 113.5 | S1230 L1231 S1232 | L1228-S1230 VanDerWaalsContact C-N 3.3Å; L1228-S1230 PolarHBondContact O-N 2.63Å; L1228-L1231 HydrophobicContact CD2-CD1 4.48Å; L1228-L1231 PolarHBondContact O-N 3Å; L1228-S1232 PolarHBondContact O-N 3.3Å |
| 1229 | L | 29.6 | Very low | 36.1 | Very low | 96 Ų | 96 | 77.8 Ų | 77.8 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 175.5 | -79.7 | 166 | 0 | 0 | 0 | 112 | S1225 L1231 S1232 | S1225-L1229 PolarHBondContact O-N 3.01Å; L1229-L1231 PolarHBondContact O-N 2.65Å; L1229-S1232 PolarHBondContact O-N 3.03Å; L1229-S1232 VanDerWaalsContact O-N 3.17Å; L1229-S1232 PolarHBondContact O-OG 3.22Å |
| 1230 | S | 29.3 | Very low | 33.9 | Very low | 55 Ų | 55 | 85.6 Ų | 85.6 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -22.5 | 175.8 | 81.7 | 0 | 0 | 0 | 0 | 114.2 | F1227 L1228 | F1227-S1230 PolarHBondContact O-N 2.96Å; F1227-S1230 PolarHBondContact O-OG 3.13Å; L1228-S1230 VanDerWaalsContact C-N 3.3Å; L1228-S1230 PolarHBondContact O-N 2.63Å |
| 1231 | L | 28.2 | Very low | 32.2 | Very low | 77 Ų | 77 | 89.7 Ų | 89.7 | 40% | 0.403 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -90.2 | -17 | 177.6 | -75.5 | 157.8 | 0 | 0 | 0 | 113.2 | F1227 L1228 L1229 T1234 T1511 | F1227-L1231 HydrophobicContact CD1-CD1 3.87Å; F1227-L1231 HydrophobicContact CE1-CD1 3.8Å; L1228-L1231 HydrophobicContact CD2-CD1 4.48Å; L1228-L1231 PolarHBondContact O-N 3Å; L1229-L1231 PolarHBondContact O-N 2.65Å; L1231-T1234 PolarHBondContact O-OG1 3.31Å; L1231-T1511 HydrophobicContact CD2-CG2 4.2Å |
| 1232 | S | 28.9 | Very low | 30.7 | Very low | 78 Ų | 78 | 92 Ų | 92 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -84.3 | -17.8 | -173.4 | 70 | 0 | 0 | 0 | 0 | 114.6 | L1228 L1229 | L1228-S1232 PolarHBondContact O-N 3.3Å; L1229-S1232 PolarHBondContact O-N 3.03Å; L1229-S1232 VanDerWaalsContact O-N 3.17Å; L1229-S1232 PolarHBondContact O-OG 3.22Å |
| 1233 | S | 27.5 | Very low | 29.5 | Very low | 77 Ų | 77 | 95.1 Ų | 95.1 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | 16.8 | -175.9 | 66.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1234 | T | 26.7 | Very low | 28.6 | Very low | 110 Ų | 110 | 102.9 Ų | 102.9 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | -125.5 | 59.4 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | L1231 | L1231-T1234 PolarHBondContact O-OG1 3.31Š| ||
| 1235 | S | 27.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 67% | 0.671 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -153.9 | 121.6 | 166.8 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1236 | N | 25.5 | Very low | 27.3 | Very low | 147 Ų | 147 | 108.7 Ų | 108.7 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | trans | 57.1 | 110.5 | 160.7 | -61.8 | -1.4 | 0 | 0 | 0 | 121.1 | ||||
| 1237 | P | 24.9 | Very low | 27 | Very low | 132 Ų | 132 | 112.6 Ų | 112.6 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | -94.8 | 102.4 | 157 | 34.4 | -26 | 0 | 0 | 0 | 111.5 | ||||
| 1238 | S | 24.1 | Very low | 26.7 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | trans | -160.3 | 147.6 | 164.8 | 45.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1239 | S | 24.6 | Very low | 26.4 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | 68.1 | 102.3 | 170.2 | 41.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1240 | E | 23.4 | Very low | 26.1 | Very low | 191 Ų | 191 | 123 Ų | 123 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | 100.5 | 126.1 | 121.7 | -69.9 | 174.9 | -174.5 | 0 | 0 | 123.2 | |||||
| 1241 | A | 25.8 | Very low | 26 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 68.6 | 137.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1242 | S | 24.2 | Very low | 25.8 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | cis | -172.9 | 150 | -32.7 | 39.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1243 | D | 26.7 | Very low | 25.6 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 65.2 | 131.7 | 170.7 | -56.3 | -22.3 | 0 | 0 | 0 | 117.4 | ||||
| 1244 | Q | 27 | Very low | 25.5 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | cis | -140.6 | 164.4 | 8 | -70.1 | -168.1 | -35 | 0 | 0 | 112.4 | ||||
| 1245 | P | 30 | Very low | 25.5 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -114.1 | 155.1 | -175 | 41.1 | -32.2 | 0 | 0 | 0 | 115.9 | ||||
| 1246 | N | 24.8 | Very low | 25.5 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | 162.7 | 154 | 120.9 | -85.3 | -10.3 | 0 | 0 | 0 | 115.8 | |||||
| 1247 | E | 25 | Very low | 25.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | 66.2 | 84.9 | 156 | -72 | 163.3 | -149.4 | 0 | 0 | 119.8 | ||||
| 1248 | D | 26.5 | Very low | 25.8 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | 179.2 | 123.5 | 93.5 | -99 | -20.8 | 0 | 0 | 0 | 112.3 | |||||
| 1249 | Q | 23.9 | Very low | 25.9 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -117.9 | 98.1 | -173.9 | -74.2 | -178.5 | -23.1 | 0 | 0 | 113 | ||||
| 1250 | S | 24 | Very low | 26.1 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -163.4 | 43.2 | 167.7 | 58.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1251 | S | 26.1 | Very low | 26.3 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | trans | -169.8 | 73.8 | 164.8 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1252 | F | 24.5 | Very low | 26.5 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | trans | -115.1 | -15.4 | -172 | -108.2 | -89.8 | 0 | 0 | 0 | 118 | T1254 | F1252-T1254 PolarHBondContact O-N 3.15Š| ||
| 1253 | D | 25.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 17.6 | -165.7 | -67.1 | -30.6 | 0 | 0 | 0 | 117.3 | ||
| 1254 | T | 26 | Very low | 26.9 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 83% | 0.828 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 5.4 | -179.9 | 42.3 | 0 | 0 | 0 | 0 | 115.5 | F1252 | F1252-T1254 PolarHBondContact O-N 3.15Š|
| 1255 | K | 26.7 | Very low | 27 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | trans | -93.4 | 0.3 | -167.6 | -76.7 | 175.3 | 176.6 | 160.5 | 0 | 117.2 | V1259 | K1255-V1259 WeakPolarHBondContact O-CG2 3.37Š| ||
| 1256 | I | 26.8 | Very low | 27 | Very low | 171 Ų | 171 | 118.5 Ų | 118.5 | 88% | 0.877 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -98 | -12.3 | -162.7 | -66.6 | 175.4 | 0 | 0 | 0 | 115.3 | ||
| 1257 | A | 26.8 | Very low | 27.1 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 79% | 0.793 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -106.1 | -13.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1258 | C | 30 | Very low | 27.1 | Very low | 73 Ų | 73 | 113.5 Ų | 113.5 | 49% | 0.493 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -133.7 | 10.9 | -167.9 | -76.1 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1259 | V | 26.9 | Very low | 27.2 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | trans | -85.9 | -24.9 | -163.2 | -179.8 | 0 | 0 | 0 | 0 | 114.8 | K1255 | K1255-V1259 WeakPolarHBondContact O-CG2 3.37Š| ||
| 1260 | N | 27.5 | Very low | 27.3 | Very low | 94 Ų | 94 | 106.2 Ų | 106.2 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | 4.1 | -161 | -69.1 | 0.4 | 0 | 0 | 0 | 116.9 | S1263 | N1260-S1263 PolarHBondContact O-OG 3.09Š|
| 1261 | S | 28.4 | Very low | 27.5 | Very low | 57 Ų | 57 | 107.3 Ų | 107.3 | 40% | 0.399 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.7 | 9.5 | 179.2 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1262 | L | 29.2 | Very low | 27.5 | Very low | 84 Ų | 84 | 106.9 Ų | 106.9 | 44% | 0.44 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -108.8 | -4 | 172 | -83.7 | 159.3 | 0 | 0 | 0 | 112.6 | T1264 | L1262-T1264 VanDerWaalsContact C-N 3.29Å; L1262-T1264 PolarHBondContact O-N 3.24Å |
| 1263 | S | 29.2 | Very low | 27.9 | Very low | 85 Ų | 85 | 105.4 Ų | 105.4 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | trans | -83.2 | 2.7 | 179.3 | 48.1 | 0 | 0 | 0 | 0 | 114.2 | N1260 Y1265 | N1260-S1263 PolarHBondContact O-OG 3.09Å; S1263-Y1265 PolarHBondContact O-N 3.39Å; S1263-Y1265 VanDerWaalsContact O-N 3.16Å | ||
| 1264 | T | 30.4 | Very low | 28.4 | Very low | 57 Ų | 57 | 100.7 Ų | 100.7 | 35% | 0.35 | 57% | 0.572 | S | S | . | * | trans | -70.6 | -5.2 | -175.1 | -12.8 | 0 | 0 | 0 | 0 | 114.9 | D1226 L1262 R1266 | D1226-T1264 VanDerWaalsContact CG-CG2 3.48Å; D1226-T1264 WeakPolarHBondContact OD1-CG2 3.19Å; D1226-T1264 WeakPolarHBondContact OD2-CG2 3.2Å; L1262-T1264 VanDerWaalsContact C-N 3.29Å; L1262-T1264 PolarHBondContact O-N 3.24Å; T1264-R1266 PolarHBondContact O-N 3.25Å | ||
| 1265 | Y | 29.4 | Very low | 28.8 | Very low | 58 Ų | 58 | 96.1 Ų | 96.1 | 23% | 0.227 | 55% | 0.545 | C | S | . | . | trans | -74.7 | 67 | 169.6 | -69.9 | -66.4 | 0 | 0 | 0 | 111.6 | S1263 L1267 T1911 Y1914 | S1263-Y1265 PolarHBondContact O-N 3.39Å; S1263-Y1265 VanDerWaalsContact O-N 3.16Å; Y1265-L1267 VanDerWaalsContact C-N 3.26Å; Y1265-L1267 PolarHBondContact O-N 3.21Å; Y1265-T1911 HydrophobicContact CD2-CG2 3.94Å; Y1265-T1911 HydrophobicContact CE2-CG2 3.42Å; Y1265-T1911 VanDerWaalsContact CE2-CG2 3.42Å; Y1265-Y1914 AromaticContact CE1-CD2 3.77Å; Y1265-Y1914 HydrophobicContact CE1-CD2 3.77Å; Y1265-Y1914 HydrophobicContact CE1-CG 4.1Å | ||
| 1266 | R | 28.9 | Very low | 29.5 | Very low | 176 Ų | 176 | 92.2 Ų | 92.2 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | trans | -92.3 | 44.9 | 176.9 | -143.9 | -178.2 | -161.9 | -177.2 | 8 | 113.1 | T1264 | T1264-R1266 PolarHBondContact O-N 3.25Š| ||
| 1267 | L | 28 | Very low | 30.5 | Very low | 102 Ų | 102 | 87.2 Ų | 87.2 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -89.1 | 130 | 160.2 | -87.7 | 143.9 | 0 | 0 | 0 | 108.8 | Y1265 | Y1265-L1267 VanDerWaalsContact C-N 3.26Å; Y1265-L1267 PolarHBondContact O-N 3.21Å |
| 1268 | D | 25.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 88.3 Ų | 88.3 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | S | Bend | trans | 86.1 | 12.7 | 161.8 | -52.3 | -15.4 | 0 | 0 | 0 | 121.3 | R1921 | D1268-R1921 IonicContact OD1-NH1 3.81Å; D1268-R1921 IonicContact OD2-CZ 3.88Å; D1268-R1921 VanDerWaalsContact OD2-CZ 3.27Å; D1268-R1921 IonicContact OD2-NH1 3.63Å; D1268-R1921 PolarHBondContact OD2-NH1 3.15Å; D1268-R1921 IonicContact OD2-NH2 3.78Å; D1268-R1921 PolarHBondContact OD2-NH2 3.36Å |
| 1269 | L | 26.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 88.1 Ų | 88.1 | 70% | 0.702 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -135.2 | 8.2 | 176.2 | -105.4 | 165.5 | 0 | 0 | 0 | 118.8 | ||
| 1270 | V | 26.6 | Very low | 33.5 | Very low | 59 Ų | 59 | 88.5 Ų | 88.5 | 36% | 0.358 | 50% | 0.495 | S | S | . | . | trans | -128.3 | 74.2 | 169.9 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | T1272 | V1270-T1272 VanDerWaalsContact CG1-OG1 3.29Å; V1270-T1272 WeakPolarHBondContact CG1-OG1 3.35Å; V1270-T1272 PolarHBondContact O-N 2.75Å; V1270-T1272 VanDerWaalsContact O-N 3.1Å | ||
| 1271 | T | 27.4 | Very low | 35 | Very low | 142 Ų | 142 | 87.6 Ų | 87.6 | 87% | 0.871 | 49% | 0.488 | S | S | * | . | trans | -81.9 | 45.4 | 171.5 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1272 | T | 26.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 87.5 Ų | 87.5 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | trans | -96.8 | 116.9 | 162.5 | 53.7 | 0 | 0 | 0 | 0 | 108 | V1270 S1274 S1275 | V1270-T1272 VanDerWaalsContact CG1-OG1 3.29Å; V1270-T1272 WeakPolarHBondContact CG1-OG1 3.35Å; V1270-T1272 PolarHBondContact O-N 2.75Å; V1270-T1272 VanDerWaalsContact O-N 3.1Å; T1272-S1274 PolarHBondContact O-N 2.93Å; T1272-S1275 PolarHBondContact O-N 2.83Å; T1272-S1275 PolarHBondContact O-OG 3.09Å | ||
| 1273 | T | 33.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 87.3 Ų | 87.3 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -54.1 | -29 | -171.4 | 40.1 | 0 | 0 | 0 | 0 | 113.9 | S1275 S1276 | T1273-S1275 PolarHBondContact O-N 3.38Å; T1273-S1276 PolarHBondContact O-OG 2.77Å; T1273-S1276 VanDerWaalsContact O-OG 3.1Å |
| 1274 | S | 34.7 | Very low | 39.3 | Very low | 70 Ų | 70 | 84.5 Ų | 84.5 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -38.2 | 178 | 48.5 | 0 | 0 | 0 | 0 | 115.5 | T1272 S1276 S1277 | T1272-S1274 PolarHBondContact O-N 2.93Å; S1274-S1276 VanDerWaalsContact C-N 3.34Å; S1274-S1276 PolarHBondContact O-N 3.24Å; S1274-S1277 PolarHBondContact O-N 3.35Å; S1274-S1277 PolarHBondContact O-OG 3.41Å |
| 1275 | S | 34.5 | Very low | 41.1 | Very low | 38 Ų | 38 | 82.5 Ų | 82.5 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73 | -25.1 | -172.2 | 62.2 | 0 | 0 | 0 | 0 | 114 | T1272 T1273 T1279 | T1272-S1275 PolarHBondContact O-N 2.83Å; T1272-S1275 PolarHBondContact O-OG 3.09Å; T1273-S1275 PolarHBondContact O-N 3.38Å; S1275-T1279 PolarHBondContact O-OG1 3.41Å; S1275-T1279 VanDerWaalsContact O-OG1 3.12Å |
| 1276 | S | 41.4 | Very low | 42.7 | Very low | 42 Ų | 42 | 83 Ų | 83 | 29% | 0.294 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78 | -23.8 | -179.7 | 67.8 | 0 | 0 | 0 | 0 | 114 | T1273 S1274 T1279 Q1280 | T1273-S1276 PolarHBondContact O-OG 2.77Å; T1273-S1276 VanDerWaalsContact O-OG 3.1Å; S1274-S1276 VanDerWaalsContact C-N 3.34Å; S1274-S1276 PolarHBondContact O-N 3.24Å; S1276-T1279 PolarHBondContact O-OG1 2.77Å; S1276-Q1280 WeakPolarHBondContact O-CG 3.23Å |
| 1277 | S | 48.8 | Very low | 44.3 | Very low | 67 Ų | 67 | 79.3 Ų | 79.3 | 47% | 0.469 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -76 | -38.3 | 174.2 | 31.3 | 0 | 0 | 0 | 0 | 112.7 | S1274 Q1281 | S1274-S1277 PolarHBondContact O-N 3.35Å; S1274-S1277 PolarHBondContact O-OG 3.41Å; S1277-Q1281 WeakPolarHBondContact O-CB 3.18Å; S1277-Q1281 PolarHBondContact O-N 3.46Å |
| 1278 | E | 49.7 | Very low | 46.2 | Very low | 118 Ų | 118 | 74.5 Ų | 74.5 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.5 | -43.6 | -177.4 | -66.1 | 178.8 | 157.4 | 0 | 0 | 111.7 | Q1281 Q1282 | E1278-Q1281 WeakPolarHBondContact O-CB 3.26Å; E1278-Q1281 PolarHBondContact O-N 2.98Å; E1278-Q1281 VanDerWaalsContact O-N 3.16Å; E1278-Q1282 WeakPolarHBondContact O-CG 3.38Å; E1278-Q1282 PolarHBondContact O-N 3.07Å |
| 1279 | T | 46.7 | Very low | 48.5 | Very low | 70 Ų | 70 | 69.7 Ų | 69.7 | 43% | 0.429 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.8 | 46.3 | 0 | 0 | 0 | 0 | 112.6 | S1275 S1276 Q1281 Q1282 S1283 | S1275-T1279 PolarHBondContact O-OG1 3.41Å; S1275-T1279 VanDerWaalsContact O-OG1 3.12Å; S1276-T1279 PolarHBondContact O-OG1 2.77Å; T1279-Q1281 VanDerWaalsContact C-N 3.32Å; T1279-Q1281 PolarHBondContact O-N 3.5Å; T1279-Q1282 PolarHBondContact O-N 3.23Å; T1279-S1283 PolarHBondContact O-N 3.15Å |
| 1280 | Q | 50.8 | Low | 50.2 | Low | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -36 | 172 | -73.3 | -174.1 | 7.4 | 0 | 0 | 112.5 | S1276 S1284 | S1276-Q1280 WeakPolarHBondContact O-CG 3.23Å; Q1280-S1284 PolarHBondContact O-N 3.37Å; Q1280-S1284 VanDerWaalsContact O-N 3.11Å |
| 1281 | Q | 58.9 | Low | 52.1 | Low | 75 Ų | 75 | 63.7 Ų | 63.7 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 177.4 | -173.6 | 177.9 | 5.8 | 0 | 0 | 111.9 | S1277 E1278 T1279 S1284 Q1285 | S1277-Q1281 WeakPolarHBondContact O-CB 3.18Å; S1277-Q1281 PolarHBondContact O-N 3.46Å; E1278-Q1281 WeakPolarHBondContact O-CB 3.26Å; E1278-Q1281 PolarHBondContact O-N 2.98Å; E1278-Q1281 VanDerWaalsContact O-N 3.16Å; T1279-Q1281 VanDerWaalsContact C-N 3.32Å; T1279-Q1281 PolarHBondContact O-N 3.5Å; Q1281-S1284 WeakPolarHBondContact O-CB 3.31Å; Q1281-S1284 PolarHBondContact O-N 3.4Å; Q1281-Q1285 VanDerWaalsContact O-CG 3.31Å; Q1281-Q1285 WeakPolarHBondContact O-CG 3.31Å; Q1281-Q1285 PolarHBondContact O-N 3.27Å |
| 1282 | Q | 59.1 | Low | 54.4 | Low | 55 Ų | 55 | 57 Ų | 57 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.3 | -74.8 | 167.7 | -27.3 | 0 | 0 | 111.9 | E1278 T1279 S1284 Q1285 H1286 | E1278-Q1282 WeakPolarHBondContact O-CG 3.38Å; E1278-Q1282 PolarHBondContact O-N 3.07Å; T1279-Q1282 PolarHBondContact O-N 3.23Å; Q1282-S1284 PolarHBondContact O-N 2.75Å; Q1282-Q1285 PolarHBondContact O-N 3.18Å; Q1282-H1286 PolarHBondContact O-N 3.39Å |
| 1283 | S | 55.7 | Low | 56.6 | Low | 81 Ų | 81 | 53.4 Ų | 53.4 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 175 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | T1279 Q1285 R1287 | T1279-S1283 PolarHBondContact O-N 3.15Å; S1283-Q1285 VanDerWaalsContact C-N 3.34Å; S1283-Q1285 PolarHBondContact O-N 3Å; S1283-R1287 WeakPolarHBondContact O-CB 3.14Å; S1283-R1287 PolarHBondContact O-N 3.03Å |
| 1284 | S | 61.5 | Low | 58 | Low | 26 Ų | 26 | 48.4 Ų | 48.4 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 174.9 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | C1097 Q1165 Q1280 Q1281 Q1282 G1288 | C1097-S1284 PolarHBondContact O-OG 3.39Å; Q1165-S1284 PolarHBondContact NE2-O 3.05Å; Q1280-S1284 PolarHBondContact O-N 3.37Å; Q1280-S1284 VanDerWaalsContact O-N 3.11Å; Q1281-S1284 WeakPolarHBondContact O-CB 3.31Å; Q1281-S1284 PolarHBondContact O-N 3.4Å; Q1282-S1284 PolarHBondContact O-N 2.75Å; S1284-G1288 PolarHBondContact O-N 3.32Å |
| 1285 | Q | 67.7 | Low | 59.5 | Low | 14 Ų | 14 | 46.6 Ų | 46.6 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.5 | -48 | 178.9 | -71.8 | 171.9 | 10.3 | 0 | 0 | 112.2 | R1096 Q1281 Q1282 S1283 R1287 G1288 A1289 | R1096-Q1285 HydrophobicContact CB-CG 4.48Å; R1096-Q1285 HydrophobicContact CG-CG 3.68Å; Q1281-Q1285 VanDerWaalsContact O-CG 3.31Å; Q1281-Q1285 WeakPolarHBondContact O-CG 3.31Å; Q1281-Q1285 PolarHBondContact O-N 3.27Å; Q1282-Q1285 PolarHBondContact O-N 3.18Å; S1283-Q1285 VanDerWaalsContact C-N 3.34Å; S1283-Q1285 PolarHBondContact O-N 3Å; Q1285-R1287 VanDerWaalsContact C-N 3.33Å; Q1285-R1287 PolarHBondContact O-N 3.46Å; Q1285-G1288 PolarHBondContact O-N 3.47Å; Q1285-A1289 WeakPolarHBondContact O-CB 3.46Å; Q1285-A1289 PolarHBondContact O-N 2.8Å |
| 1286 | H | 63.3 | Low | 61.4 | Low | 69 Ų | 69 | 44.8 Ų | 44.8 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.6 | -48 | 174.6 | 177.8 | -93.2 | 0 | 0 | 0 | 111.1 | S1223 Q1282 G1288 A1289 Y1290 | S1223-H1286 PolarHBondContact OG-CD2 2.84Å; S1223-H1286 VanDerWaalsContact OG-CD2 3.3Å; Q1282-H1286 PolarHBondContact O-N 3.39Å; H1286-G1288 PolarHBondContact O-N 3.05Å; H1286-A1289 PolarHBondContact O-N 2.7Å; H1286-Y1290 VanDerWaalsContact O-CB 3.32Å; H1286-Y1290 WeakPolarHBondContact O-CB 3.37Å; H1286-Y1290 PolarHBondContact O-N 2.96Å |
| 1287 | R | 63.7 | Low | 62.6 | Low | 99 Ų | 99 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 177.1 | -172.2 | 179.8 | -168.5 | 169 | 5.1 | 112.6 | V1162 S1283 Q1285 I1291 | V1162-R1287 VanDerWaalsContact CG2-NH1 3.35Å; S1283-R1287 WeakPolarHBondContact O-CB 3.14Å; S1283-R1287 PolarHBondContact O-N 3.03Å; Q1285-R1287 VanDerWaalsContact C-N 3.33Å; Q1285-R1287 PolarHBondContact O-N 3.46Å; R1287-I1291 HydrophobicContact CG-CD1 4.03Å; R1287-I1291 VanDerWaalsContact O-CG1 3.26Å; R1287-I1291 WeakPolarHBondContact O-CG1 3.32Å; R1287-I1291 PolarHBondContact O-N 3.34Å; R1287-I1291 VanDerWaalsContact O-N 3.07Å |
| 1288 | G | 67.3 | Low | 63.2 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1284 Q1285 H1286 I1291 S1292 | S1284-G1288 PolarHBondContact O-N 3.32Å; Q1285-G1288 PolarHBondContact O-N 3.47Å; H1286-G1288 PolarHBondContact O-N 3.05Å; G1288-I1291 PolarHBondContact O-N 3.19Å; G1288-S1292 WeakPolarHBondContact O-CB 3.41Å; G1288-S1292 PolarHBondContact O-N 3.21Å; G1288-S1292 PolarHBondContact O-OG 2.96Å |
| 1289 | A | 73.2 | Confident | 64 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1216 L1220 Q1285 H1286 I1291 S1292 L1293 | L1216-A1289 HydrophobicContact CD2-CB 4.42Å; L1216-A1289 WeakPolarHBondContact O-CB 3.48Å; L1220-A1289 HydrophobicContact CD2-CB 3.92Å; L1220-A1289 HydrophobicContact CG-CB 3.94Å; Q1285-A1289 WeakPolarHBondContact O-CB 3.46Å; Q1285-A1289 PolarHBondContact O-N 2.8Å; H1286-A1289 PolarHBondContact O-N 2.7Å; A1289-I1291 PolarHBondContact O-N 3.37Å; A1289-S1292 WeakPolarHBondContact O-CB 3.29Å; A1289-S1292 PolarHBondContact O-N 3.35Å; A1289-L1293 PolarHBondContact O-N 3.42Å |
| 1290 | Y | 63.9 | Low | 64.9 | Low | 53 Ų | 53 | 35.2 Ų | 35.2 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 173.8 | 170 | -102.3 | 0 | 0 | 0 | 112.6 | H1286 S1292 S1294 T1526 K1530 | H1286-Y1290 VanDerWaalsContact O-CB 3.32Å; H1286-Y1290 WeakPolarHBondContact O-CB 3.37Å; H1286-Y1290 PolarHBondContact O-N 2.96Å; Y1290-S1292 VanDerWaalsContact C-N 3.3Å; Y1290-S1292 PolarHBondContact O-N 3.05Å; Y1290-S1294 WeakPolarHBondContact O-CB 3.33Å; Y1290-S1294 PolarHBondContact O-N 3.03Å; Y1290-S1294 PolarHBondContact O-OG 3.46Å; Y1290-T1526 HydrophobicContact CD2-CG2 3.83Å; Y1290-T1526 HydrophobicContact CE2-CG2 3.88Å; Y1290-T1526 WeakPolarHBondContact CE2-O 3.4Å; Y1290-K1530 VanDerWaalsContact CZ-NZ 3.35Å; Y1290-K1530 WeakPolarHBondContact OH-CE 3.43Å; Y1290-K1530 PolarHBondContact OH-NZ 3.08Å |
| 1291 | I | 65.9 | Low | 65.3 | Low | 15 Ų | 15 | 31.5 Ų | 31.5 | 8% | 0.077 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.1 | -66.8 | 166.8 | 0 | 0 | 0 | 110.5 | V1162 Q1165 R1166 A1169 R1287 G1288 A1289 S1294 C1295 | V1162-I1291 HydrophobicContact CG1-CD1 4.36Å; Q1165-I1291 HydrophobicContact CB-CD1 4.45Å; R1166-I1291 HydrophobicContact CB-CG2 4.41Å; R1166-I1291 HydrophobicContact CG-CD1 4.34Å; R1166-I1291 HydrophobicContact CG-CG2 3.84Å; A1169-I1291 HydrophobicContact CB-CG2 3.73Å; R1287-I1291 HydrophobicContact CG-CD1 4.03Å; R1287-I1291 VanDerWaalsContact O-CG1 3.26Å; R1287-I1291 WeakPolarHBondContact O-CG1 3.32Å; R1287-I1291 PolarHBondContact O-N 3.34Å; R1287-I1291 VanDerWaalsContact O-N 3.07Å; G1288-I1291 PolarHBondContact O-N 3.19Å; A1289-I1291 PolarHBondContact O-N 3.37Å; I1291-S1294 WeakPolarHBondContact O-CB 3.09Å; I1291-S1294 PolarHBondContact O-N 3.36Å; I1291-C1295 PolarHBondContact O-N 2.82Å; I1291-C1295 PolarHBondContact O-SG 3.29Å |
| 1292 | S | 74.6 | Confident | 65.2 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.8 | -50.2 | -179.2 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | I1095 G1288 A1289 Y1290 S1294 C1295 I1296 | I1095-S1292 VanDerWaalsContact CD1-OG 3.25Å; I1095-S1292 WeakPolarHBondContact CD1-OG 3.39Å; I1095-S1292 WeakPolarHBondContact CG1-OG 3.27Å; I1095-S1292 WeakPolarHBondContact CG2-OG 3.45Å; G1288-S1292 WeakPolarHBondContact O-CB 3.41Å; G1288-S1292 PolarHBondContact O-N 3.21Å; G1288-S1292 PolarHBondContact O-OG 2.96Å; A1289-S1292 WeakPolarHBondContact O-CB 3.29Å; A1289-S1292 PolarHBondContact O-N 3.35Å; Y1290-S1292 VanDerWaalsContact C-N 3.3Å; Y1290-S1292 PolarHBondContact O-N 3.05Å; S1292-S1294 VanDerWaalsContact C-N 3.32Å; S1292-S1294 PolarHBondContact O-N 3.32Å; S1292-C1295 PolarHBondContact O-N 3.26Å; S1292-I1296 VanDerWaalsContact O-CG1 3.25Å; S1292-I1296 WeakPolarHBondContact O-CG1 3.26Å; S1292-I1296 PolarHBondContact O-N 3.11Å |
| 1293 | L | 73.4 | Confident | 64.9 | Low | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -38 | 177.4 | -75.3 | 160.4 | 0 | 0 | 0 | 111.7 | L1216 L1220 A1289 C1295 I1296 C1297 L1347 T1523 I1527 | L1216-L1293 HydrophobicContact CB-CD1 4.14Å; L1216-L1293 HydrophobicContact CB-CD2 4.47Å; L1216-L1293 HydrophobicContact CB-CG 4.17Å; L1216-L1293 HydrophobicContact CD1-CG 4.37Å; L1220-L1293 HydrophobicContact CD1-CD1 3.48Å; L1220-L1293 VanDerWaalsContact CD1-CD1 3.48Å; L1220-L1293 HydrophobicContact CG-CD1 4.43Å; A1289-L1293 PolarHBondContact O-N 3.42Å; L1293-C1295 PolarHBondContact O-N 2.89Å; L1293-I1296 PolarHBondContact O-N 2.98Å; L1293-C1297 WeakPolarHBondContact O-CB 3.31Å; L1293-C1297 PolarHBondContact O-N 2.9Å; L1293-C1297 PolarHBondContact O-SG 3.29Å; L1293-L1347 HydrophobicContact CD2-CD1 4.43Å; L1293-L1347 HydrophobicContact CD2-CD2 3.92Å; L1293-T1523 HydrophobicContact CD1-CG2 3.91Å; L1293-I1527 HydrophobicContact CB-CD1 4.45Å |
| 1294 | S | 62.5 | Low | 64.6 | Low | 16 Ų | 16 | 27.7 Ų | 27.7 | 11% | 0.112 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.9 | -49.5 | 171.5 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | Y1290 I1291 S1292 Y1298 K1530 | Y1290-S1294 WeakPolarHBondContact O-CB 3.33Å; Y1290-S1294 PolarHBondContact O-N 3.03Å; Y1290-S1294 PolarHBondContact O-OG 3.46Å; I1291-S1294 WeakPolarHBondContact O-CB 3.09Å; I1291-S1294 PolarHBondContact O-N 3.36Å; S1292-S1294 VanDerWaalsContact C-N 3.32Å; S1292-S1294 PolarHBondContact O-N 3.32Å; S1294-Y1298 WeakPolarHBondContact O-CB 2.91Å; S1294-Y1298 PolarHBondContact O-N 3.25Å; S1294-K1530 WeakPolarHBondContact OG-CD 3.48Å; S1294-K1530 PolarHBondContact OG-NZ 3.04Å |
| 1295 | C | 67.5 | Low | 64 | Low | 32 Ų | 32 | 29.5 Ų | 29.5 | 22% | 0.216 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -40.6 | -178.5 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | A1169 A1173 I1291 S1292 L1293 Y1298 T1299 | A1169-C1295 HydrophobicContact CB-CB 4.23Å; A1173-C1295 HydrophobicContact CB-CB 4.11Å; I1291-C1295 PolarHBondContact O-N 2.82Å; I1291-C1295 PolarHBondContact O-SG 3.29Å; S1292-C1295 PolarHBondContact O-N 3.26Å; L1293-C1295 PolarHBondContact O-N 2.89Å; C1295-Y1298 PolarHBondContact O-N 3.29Å; C1295-T1299 VanDerWaalsContact O-CB 3.31Å; C1295-T1299 WeakPolarHBondContact O-CB 3.42Å; C1295-T1299 PolarHBondContact O-N 3.45Å; C1295-T1299 PolarHBondContact O-OG1 2.91Å |
| 1296 | I | 74.7 | Confident | 62.9 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -52 | 176.1 | -71.3 | 165.3 | 0 | 0 | 0 | 110.1 | A1173 L1176 L1216 S1292 L1293 T1299 F1300 I1344 L1347 | A1173-I1296 HydrophobicContact CB-CB 4.46Å; A1173-I1296 HydrophobicContact CB-CG1 3.9Å; L1176-I1296 HydrophobicContact CD1-CD1 3.69Å; L1176-I1296 HydrophobicContact CD1-CG1 3.98Å; L1216-I1296 HydrophobicContact CD1-CD1 3.65Å; S1292-I1296 VanDerWaalsContact O-CG1 3.25Å; S1292-I1296 WeakPolarHBondContact O-CG1 3.26Å; S1292-I1296 PolarHBondContact O-N 3.11Å; L1293-I1296 PolarHBondContact O-N 2.98Å; I1296-T1299 PolarHBondContact O-N 3.05Å; I1296-F1300 HydrophobicContact CG2-CD2 4.4Å; I1296-F1300 WeakPolarHBondContact O-CD2 2.87Å; I1296-F1300 PolarHBondContact O-N 3.46Å; I1296-F1300 VanDerWaalsContact O-N 3.13Å; I1296-I1344 HydrophobicContact CG2-CD1 3.29Å; I1296-L1347 HydrophobicContact CG2-CD1 4.39Å |
| 1297 | C | 65.2 | Low | 61.8 | Low | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 177.3 | -77.4 | 0 | 0 | 0 | 0 | 112.8 | L1293 T1299 F1300 I1301 F1531 | L1293-C1297 WeakPolarHBondContact O-CB 3.31Å; L1293-C1297 PolarHBondContact O-N 2.9Å; L1293-C1297 PolarHBondContact O-SG 3.29Å; C1297-T1299 VanDerWaalsContact C-N 3.33Å; C1297-T1299 PolarHBondContact O-N 3.29Å; C1297-F1300 PolarHBondContact O-N 2.93Å; C1297-I1301 WeakPolarHBondContact O-CD1 2.77Å; C1297-I1301 VanDerWaalsContact O-CG1 3.27Å; C1297-I1301 WeakPolarHBondContact O-CG1 3.01Å; C1297-I1301 PolarHBondContact O-N 3.03Å; C1297-I1301 VanDerWaalsContact O-N 3.11Å; C1297-F1531 HydrophobicContact CB-CE2 3.6Å; C1297-F1531 HydrophobicContact CB-CZ 3.6Å |
| 1298 | Y | 62.6 | Low | 60.6 | Low | 64 Ų | 64 | 33 Ų | 33 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 178.7 | 179.9 | -101.1 | 0 | 0 | 0 | 112.7 | S1294 C1295 I1301 N1302 M1534 | S1294-Y1298 WeakPolarHBondContact O-CB 2.91Å; S1294-Y1298 PolarHBondContact O-N 3.25Å; C1295-Y1298 PolarHBondContact O-N 3.29Å; Y1298-I1301 PolarHBondContact O-N 3.3Å; Y1298-N1302 WeakPolarHBondContact CE2-ND2 3.29Å; Y1298-N1302 PolarHBondContact O-N 2.8Å; Y1298-N1302 PolarHBondContact OH-ND2 3.35Å; Y1298-M1534 HydrophobicContact CD2-CE 4.43Å; Y1298-M1534 HydrophobicContact CE2-CE 3.64Å; Y1298-M1534 HydrophobicContact CE2-SD 3.85Å |
| 1299 | T | 65.8 | Low | 59 | Low | 22 Ų | 22 | 34.9 Ų | 34.9 | 14% | 0.135 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | -178.1 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | A1173 W1177 C1295 I1296 C1297 L1303 | A1173-T1299 HydrophobicContact CB-CG2 4.48Å; A1173-T1299 WeakPolarHBondContact CB-OG1 3.44Å; W1177-T1299 HydrophobicContact CB-CG2 4.22Å; W1177-T1299 HydrophobicContact CG-CG2 4.5Å; C1295-T1299 VanDerWaalsContact O-CB 3.31Å; C1295-T1299 WeakPolarHBondContact O-CB 3.42Å; C1295-T1299 PolarHBondContact O-N 3.45Å; C1295-T1299 PolarHBondContact O-OG1 2.91Å; I1296-T1299 PolarHBondContact O-N 3.05Å; C1297-T1299 VanDerWaalsContact C-N 3.33Å; C1297-T1299 PolarHBondContact O-N 3.29Å; T1299-L1303 HydrophobicContact CG2-CD1 3.65Å; T1299-L1303 WeakPolarHBondContact O-CB 3.43Å; T1299-L1303 WeakPolarHBondContact O-CD1 3.43Å; T1299-L1303 VanDerWaalsContact O-CG 3.29Å; T1299-L1303 WeakPolarHBondContact O-CG 3.04Å; T1299-L1303 PolarHBondContact O-N 3.04Å |
| 1300 | F | 65.6 | Low | 57 | Low | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.1 | -29.8 | 179.8 | -86.4 | -102.5 | 0 | 0 | 0 | 113.4 | L1176 W1177 W1180 I1296 C1297 Y1304 G1343 I1344 | L1176-F1300 HydrophobicContact CB-CE2 4.33Å; W1177-F1300 HydrophobicContact CB-CE2 3.94Å; W1177-F1300 HydrophobicContact CB-CZ 4.16Å; W1180-F1300 HydrophobicContact CB-CE1 4.14Å; W1180-F1300 HydrophobicContact CB-CZ 4.18Å; W1180-F1300 HydrophobicContact CD2-CE1 4.25Å; W1180-F1300 HydrophobicContact CG-CE1 4.03Å; I1296-F1300 HydrophobicContact CG2-CD2 4.4Å; I1296-F1300 WeakPolarHBondContact O-CD2 2.87Å; I1296-F1300 PolarHBondContact O-N 3.46Å; I1296-F1300 VanDerWaalsContact O-N 3.13Å; C1297-F1300 PolarHBondContact O-N 2.93Å; F1300-Y1304 VanDerWaalsContact O-CB 3.24Å; F1300-Y1304 WeakPolarHBondContact O-CB 3.24Å; F1300-Y1304 PolarHBondContact O-N 3.38Å; F1300-G1343 WeakPolarHBondContact CE1-O 3.31Å; F1300-I1344 HydrophobicContact CB-CD1 4.45Å; F1300-I1344 HydrophobicContact CD1-CD1 4.15Å; F1300-I1344 HydrophobicContact CD1-CG1 3.73Å; F1300-I1344 HydrophobicContact CD2-CD1 3.68Å; F1300-I1344 HydrophobicContact CD2-CG1 4.15Å; F1300-I1344 HydrophobicContact CE1-CD1 4.29Å; F1300-I1344 HydrophobicContact CE1-CG1 3.68Å; F1300-I1344 HydrophobicContact CE2-CD1 3.83Å; F1300-I1344 HydrophobicContact CE2-CG1 4.1Å; F1300-I1344 HydrophobicContact CG-CD1 3.82Å; F1300-I1344 HydrophobicContact CG-CG1 3.95Å; F1300-I1344 HydrophobicContact CZ-CD1 4.12Å; F1300-I1344 HydrophobicContact CZ-CG1 3.85Å |
| 1301 | I | 59.9 | Low | 55.6 | Low | 26 Ų | 26 | 41.2 Ų | 41.2 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.8 | -53.3 | 178.6 | -69.1 | 162 | 0 | 0 | 0 | 110.7 | C1297 Y1298 L1303 Y1304 H1305 L1340 F1531 | C1297-I1301 WeakPolarHBondContact O-CD1 2.77Å; C1297-I1301 VanDerWaalsContact O-CG1 3.27Å; C1297-I1301 WeakPolarHBondContact O-CG1 3.01Å; C1297-I1301 PolarHBondContact O-N 3.03Å; C1297-I1301 VanDerWaalsContact O-N 3.11Å; Y1298-I1301 PolarHBondContact O-N 3.3Å; I1301-L1303 PolarHBondContact O-N 2.8Å; I1301-Y1304 PolarHBondContact O-N 3.28Å; I1301-H1305 PolarHBondContact O-CD2 3.48Å; I1301-H1305 VanDerWaalsContact O-CD2 3.26Å; I1301-H1305 PolarHBondContact O-N 3.44Å; I1301-L1340 HydrophobicContact CG1-CD2 4.36Å; I1301-L1340 HydrophobicContact CG1-CG 4.46Å; I1301-F1531 HydrophobicContact CD1-CD1 4.03Å; I1301-F1531 HydrophobicContact CD1-CE1 3.24Å; I1301-F1531 HydrophobicContact CD1-CE2 4.21Å; I1301-F1531 HydrophobicContact CD1-CZ 3.37Å |
| 1302 | N | 55.6 | Low | 53.8 | Low | 54 Ų | 54 | 45.3 Ų | 45.3 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.2 | -36.8 | -174.7 | -70.5 | -8 | 0 | 0 | 0 | 112.9 | Y1298 Y1304 | Y1298-N1302 WeakPolarHBondContact CE2-ND2 3.29Å; Y1298-N1302 PolarHBondContact O-N 2.8Å; Y1298-N1302 PolarHBondContact OH-ND2 3.35Å; N1302-Y1304 VanDerWaalsContact C-N 3.34Å |
| 1303 | L | 53.1 | Low | 51.4 | Low | 44 Ų | 44 | 55.8 Ų | 55.8 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.3 | -15 | -178.5 | -63.6 | 173 | 0 | 0 | 0 | 113.5 | W1177 T1299 I1301 | W1177-L1303 HydrophobicContact CD2-CD1 3.59Å; W1177-L1303 VanDerWaalsContact CE2-CD1 3.43Å; W1177-L1303 HydrophobicContact CE3-CD1 4.15Å; W1177-L1303 HydrophobicContact CG-CD1 3.87Å; W1177-L1303 HydrophobicContact CH2-CD1 4.3Å; W1177-L1303 HydrophobicContact CZ2-CB 3.97Å; W1177-L1303 HydrophobicContact CZ2-CD1 3.81Å; W1177-L1303 HydrophobicContact CZ2-CD2 4.42Å; W1177-L1303 HydrophobicContact CZ2-CG 4.28Å; W1177-L1303 HydrophobicContact CZ3-CD1 4.48Å; T1299-L1303 HydrophobicContact CG2-CD1 3.65Å; T1299-L1303 WeakPolarHBondContact O-CB 3.43Å; T1299-L1303 WeakPolarHBondContact O-CD1 3.43Å; T1299-L1303 VanDerWaalsContact O-CG 3.29Å; T1299-L1303 WeakPolarHBondContact O-CG 3.04Å; T1299-L1303 PolarHBondContact O-N 3.04Å; I1301-L1303 PolarHBondContact O-N 2.8Å |
| 1304 | Y | 50.6 | Low | 49.2 | Very low | 33 Ų | 33 | 60.7 Ų | 60.7 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -92.2 | -38 | 177 | -157.5 | -72.5 | 0 | 0 | 0 | 112.2 | W1180 F1300 I1301 N1302 H1306 E1307 L1342 | W1180-Y1304 HydrophobicContact CH2-CD2 4.03Å; W1180-Y1304 AromaticContact CH2-CE2 3.77Å; W1180-Y1304 HydrophobicContact CH2-CE2 3.77Å; W1180-Y1304 HydrophobicContact CZ2-CE2 4.07Å; F1300-Y1304 VanDerWaalsContact O-CB 3.24Å; F1300-Y1304 WeakPolarHBondContact O-CB 3.24Å; F1300-Y1304 PolarHBondContact O-N 3.38Å; I1301-Y1304 PolarHBondContact O-N 3.28Å; N1302-Y1304 VanDerWaalsContact C-N 3.34Å; Y1304-H1306 PolarHBondContact O-N 3.1Å; Y1304-H1306 VanDerWaalsContact O-N 3.14Å; Y1304-E1307 PolarHBondContact O-N 3.4Å; Y1304-L1342 HydrophobicContact CE2-CB 4.22Å; Y1304-L1342 WeakPolarHBondContact OH-CD1 3.37Å |
| 1305 | H | 47.4 | Very low | 47.6 | Very low | 64 Ų | 64 | 64.7 Ų | 64.7 | 30% | 0.296 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -21.6 | 176.8 | -83.3 | -64 | 0 | 0 | 0 | 113.9 | I1301 S1336 | I1301-H1305 PolarHBondContact O-CD2 3.48Å; I1301-H1305 VanDerWaalsContact O-CD2 3.26Å; I1301-H1305 PolarHBondContact O-N 3.44Å; H1305-S1336 WeakPolarHBondContact NE2-CB 2.81Å |
| 1306 | H | 44.6 | Very low | 45.6 | Very low | 89 Ų | 89 | 68.5 Ų | 68.5 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -80.2 | -16 | -178.5 | -142.8 | -57.5 | 0 | 0 | 0 | 114.3 | N899 Y1304 | N899-H1306 PolarHBondContact ND2-CD2 2.81Å; N899-H1306 PolarHBondContact ND2-NE2 3.49Å; Y1304-H1306 PolarHBondContact O-N 3.1Å; Y1304-H1306 VanDerWaalsContact O-N 3.14Å |
| 1307 | E | 41.3 | Very low | 43.1 | Very low | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -87.4 | -40 | 178.1 | -69.7 | -166.4 | 134.4 | 0 | 0 | 113 | Y906 Y1304 | Y906-E1307 WeakPolarHBondContact CE1-OE1 3.28Å; Y906-E1307 PolarHBondContact OH-OE1 3.08Å; Y1304-E1307 PolarHBondContact O-N 3.4Å |
| 1308 | E | 37.8 | Very low | 41.2 | Very low | 89 Ų | 89 | 83 Ų | 83 | 42% | 0.416 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.8 | -30.7 | -179.6 | -70.2 | -170.5 | 172.9 | 0 | 0 | 112.7 | E1310 T1311 A1335 | E1308-E1310 PolarHBondContact O-N 3.47Å; E1308-T1311 PolarHBondContact O-N 3.15Å; E1308-T1311 PolarHBondContact O-OG1 3.3Å; E1308-T1311 VanDerWaalsContact O-OG1 3.13Å; E1308-A1335 WeakPolarHBondContact OE2-CB 3.31Å |
| 1309 | G | 34.8 | Very low | 39.3 | Very low | 40 Ų | 40 | 85.8 Ų | 85.8 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -26.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1310 | E | 31.2 | Very low | 37.3 | Very low | 81 Ų | 81 | 93.1 Ų | 93.1 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -92.8 | -21.5 | -172.1 | -57.4 | -166.5 | 148.1 | 0 | 0 | 113.7 | K903 E1308 C1312 | K903-E1310 WeakPolarHBondContact CE-OE2 3.37Å; K903-E1310 IonicContact NZ-OE1 3.7Å; K903-E1310 PolarHBondContact NZ-OE1 2.62Å; K903-E1310 IonicContact NZ-OE2 3.69Å; K903-E1310 PolarHBondContact NZ-OE2 2.82Å; E1308-E1310 PolarHBondContact O-N 3.47Å; E1310-C1312 VanDerWaalsContact C-N 3.3Å; E1310-C1312 PolarHBondContact O-N 3.12Å |
| 1311 | T | 32.8 | Very low | 35.2 | Very low | 105 Ų | 105 | 100.9 Ų | 100.9 | 64% | 0.644 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -76.2 | -13.4 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | E1308 | E1308-T1311 PolarHBondContact O-N 3.15Å; E1308-T1311 PolarHBondContact O-OG1 3.3Å; E1308-T1311 VanDerWaalsContact O-OG1 3.13Å |
| 1312 | C | 27.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 105.7 Ų | 105.7 | 68% | 0.676 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -5.6 | 177.2 | -90.4 | 0 | 0 | 0 | 0 | 114.9 | E1310 | E1310-C1312 VanDerWaalsContact C-N 3.3Å; E1310-C1312 PolarHBondContact O-N 3.12Å |
| 1313 | W | 24.8 | Very low | 32.1 | Very low | 221 Ų | 221 | 108.9 Ų | 108.9 | 84% | 0.837 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -105.3 | -2.2 | -174.1 | -71 | 70.6 | 0 | 0 | 0 | 114.3 | ||
| 1314 | S | 28.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -93.4 | 13.7 | -176.8 | 58.2 | 0 | 0 | 0 | 0 | 115 | ||
| 1315 | S | 28.5 | Very low | 29.5 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -144 | 41.7 | -172.5 | 70.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1316 | S | 24.9 | Very low | 28.6 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -158.8 | 82.9 | 162.4 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1317 | S | 22.5 | Very low | 27.8 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -91.3 | 107.3 | 169.8 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1318 | K | 24.2 | Very low | 27 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | 161.8 | 150.8 | 142 | -89.8 | 160.9 | -176 | -177.7 | 0 | 113.8 | ||||
| 1319 | S | 24.3 | Very low | 26.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | 68.7 | 135.1 | 165.9 | 37.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1320 | M | 22.7 | Very low | 26.2 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | trans | -83.5 | 150.3 | 177.8 | -62.3 | 135.8 | 57.2 | 0 | 0 | 112.1 | ||||
| 1321 | E | 22.7 | Very low | 26 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | -177.2 | 156.3 | 115.4 | -101 | 179.6 | -173.6 | 0 | 0 | 110.7 | |||||
| 1322 | P | 24.5 | Very low | 25.9 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -87.7 | 116.5 | -175.8 | 33.4 | -30.3 | 0 | 0 | 0 | 111.3 | ||||
| 1323 | I | 24.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | trans | -132.7 | 127.3 | 178.9 | -48.8 | -179 | 0 | 0 | 0 | 111.2 | H1325 | I1323-H1325 WeakPolarHBondContact CG2-NE2 3.38Å; I1323-H1325 PolarHBondContact O-N 2.9Å | ||
| 1324 | D | 24.7 | Very low | 27 | Very low | 165 Ų | 165 | 134 Ų | 134 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | trans | -63 | 92.1 | 177.3 | -71.1 | -55 | 0 | 0 | 0 | 113.3 | ||||
| 1325 | H | 24.3 | Very low | 27.5 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | trans | -138.2 | 118 | 179.4 | -76.4 | -30.3 | 0 | 0 | 0 | 115.6 | I1323 | I1323-H1325 WeakPolarHBondContact CG2-NE2 3.38Å; I1323-H1325 PolarHBondContact O-N 2.9Å | ||
| 1326 | K | 29.9 | Very low | 28.2 | Very low | 209 Ų | 209 | 125.3 Ų | 125.3 | 91% | 0.909 | 66% | 0.663 | S | S | * | * | trans | -48.8 | 126.9 | 141.9 | -58 | 166.9 | 178.1 | 173.4 | 0 | 106.7 | ||||
| 1327 | P | 28 | Very low | 29.2 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | -156.6 | -169.8 | 72.1 | 39.4 | -17.5 | 0 | 0 | 0 | 114.6 | |||||
| 1328 | C | 24.8 | Very low | 30.4 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | trans | 160.3 | -4.2 | 146.4 | -87.3 | 0 | 0 | 0 | 0 | 115.4 | H1330 | C1328-H1330 PolarHBondContact O-N 2.73Š| ||
| 1329 | L | 26 | Very low | 31.7 | Very low | 140 Ų | 140 | 108.5 Ų | 108.5 | 73% | 0.733 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -21.6 | -171.3 | -79.9 | 153 | 0 | 0 | 0 | 117 | R1331 | L1329-R1331 PolarHBondContact O-N 2.8Š|
| 1330 | H | 28.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 103.9 Ų | 103.9 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -10.8 | -170.9 | -102.2 | -62.7 | 0 | 0 | 0 | 117 | C1328 Y1540 | C1328-H1330 PolarHBondContact O-N 2.73Å; H1330-Y1540 PolarHBondContact ND1-OH 3.47Å |
| 1331 | R | 28.4 | Very low | 34.6 | Very low | 226 Ų | 226 | 101.1 Ų | 101.1 | 85% | 0.853 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -98.7 | -20.7 | 178.5 | -78.5 | -172.7 | 178.9 | 177 | 1.5 | 114.7 | L1329 | L1329-R1331 PolarHBondContact O-N 2.8Š|
| 1332 | L | 29.8 | Very low | 36 | Very low | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.5 | -21 | -170.3 | -75.4 | 157.3 | 0 | 0 | 0 | 114.1 | S1336 | L1332-S1336 PolarHBondContact O-OG 2.96Å |
| 1333 | S | 40.9 | Very low | 37.5 | Very low | 9 Ų | 9 | 90.3 Ų | 90.3 | 6% | 0.063 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.8 | -35 | -174.3 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | S1336 Y1540 | S1333-S1336 PolarHBondContact O-OG 3.41Å; S1333-Y1540 VanDerWaalsContact OG-CD2 3.27Å; S1333-Y1540 WeakPolarHBondContact OG-CD2 3.42Å; S1333-Y1540 VanDerWaalsContact OG-CE2 3.31Å; S1333-Y1540 WeakPolarHBondContact OG-CE2 3.47Å |
| 1334 | N | 35.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 84.9 Ų | 84.9 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.7 | -29 | 179.2 | -80.9 | -30.2 | 0 | 0 | 0 | 113 | L1337 N1338 | N1334-L1337 PolarHBondContact O-N 3.17Å; N1334-N1338 WeakPolarHBondContact O-CB 3.23Å; N1334-N1338 PolarHBondContact O-N 3.37Å; N1334-N1338 PolarHBondContact O-ND2 2.98Å |
| 1335 | A | 37.7 | Very low | 41.1 | Very low | 12 Ų | 12 | 78.1 Ų | 78.1 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1308 L1337 N1338 S1339 | E1308-A1335 WeakPolarHBondContact OE2-CB 3.31Å; A1335-L1337 VanDerWaalsContact C-N 3.33Å; A1335-L1337 PolarHBondContact O-N 3.3Å; A1335-N1338 PolarHBondContact O-N 2.97Å; A1335-S1339 PolarHBondContact O-N 3.12Å |
| 1336 | S | 44.6 | Very low | 42.8 | Very low | 12 Ų | 12 | 71.6 Ų | 71.6 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -34.1 | 176.9 | 23.8 | 0 | 0 | 0 | 0 | 114.3 | H1305 L1332 S1333 S1339 | H1305-S1336 WeakPolarHBondContact NE2-CB 2.81Å; L1332-S1336 PolarHBondContact O-OG 2.96Å; S1333-S1336 PolarHBondContact O-OG 3.41Å; S1336-S1339 PolarHBondContact O-OG 3.25Å |
| 1337 | L | 45.6 | Very low | 44.3 | Very low | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78.8 | -36.3 | 175.3 | -82.4 | 165.8 | 0 | 0 | 0 | 111.7 | N1334 A1335 S1339 R1341 W1348 W1352 I1541 | N1334-L1337 PolarHBondContact O-N 3.17Å; A1335-L1337 VanDerWaalsContact C-N 3.33Å; A1335-L1337 PolarHBondContact O-N 3.3Å; L1337-S1339 VanDerWaalsContact C-N 3.34Å; L1337-R1341 WeakPolarHBondContact O-CB 3.3Å; L1337-R1341 PolarHBondContact O-N 3.07Å; L1337-R1341 VanDerWaalsContact O-N 3.14Å; L1337-W1348 HydrophobicContact CD2-CZ3 4.42Å; L1337-W1352 HydrophobicContact CD2-CH2 3.63Å; L1337-W1352 HydrophobicContact CD2-CZ2 4.03Å; L1337-I1541 HydrophobicContact CD2-CG1 4.12Å; L1337-I1541 HydrophobicContact CG-CG1 4.32Å |
| 1338 | N | 47 | Very low | 45.9 | Very low | 48 Ų | 48 | 59 Ų | 59 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -33 | 174.1 | -75.8 | -30 | 0 | 0 | 0 | 112.5 | N1334 A1335 R1341 L1342 | N1334-N1338 WeakPolarHBondContact O-CB 3.23Å; N1334-N1338 PolarHBondContact O-N 3.37Å; N1334-N1338 PolarHBondContact O-ND2 2.98Å; A1335-N1338 PolarHBondContact O-N 2.97Å; N1338-R1341 WeakPolarHBondContact O-CB 3.48Å; N1338-R1341 PolarHBondContact O-N 3.46Å; N1338-L1342 HydrophobicContact CB-CD1 4.38Å; N1338-L1342 WeakPolarHBondContact O-CB 3.11Å; N1338-L1342 WeakPolarHBondContact O-CG 3.44Å; N1338-L1342 PolarHBondContact O-N 2.84Å |
| 1339 | S | 51.4 | Low | 47.5 | Very low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | A1335 S1336 L1337 G1343 | A1335-S1339 PolarHBondContact O-N 3.12Å; S1336-S1339 PolarHBondContact O-OG 3.25Å; L1337-S1339 VanDerWaalsContact C-N 3.34Å; S1339-G1343 WeakPolarHBondContact O-CA 3.43Å; S1339-G1343 PolarHBondContact O-N 2.92Å |
| 1340 | L | 53.8 | Low | 48.9 | Very low | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -37 | 174 | -72.7 | 166.9 | 0 | 0 | 0 | 112 | I1301 I1344 F1531 | I1301-L1340 HydrophobicContact CG1-CD2 4.36Å; I1301-L1340 HydrophobicContact CG1-CG 4.46Å; L1340-I1344 PolarHBondContact O-N 2.88Å; L1340-I1344 VanDerWaalsContact O-N 3.13Å; L1340-F1531 HydrophobicContact CD1-CE1 4.31Å |
| 1341 | R | 54 | Low | 50.1 | Low | 117 Ų | 117 | 46.6 Ų | 46.6 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.5 | -37.3 | 177.6 | -171.1 | 175.8 | 171.7 | -168.3 | -2.2 | 113.5 | L1337 N1338 W1348 | L1337-R1341 WeakPolarHBondContact O-CB 3.3Å; L1337-R1341 PolarHBondContact O-N 3.07Å; L1337-R1341 VanDerWaalsContact O-N 3.14Å; N1338-R1341 WeakPolarHBondContact O-CB 3.48Å; N1338-R1341 PolarHBondContact O-N 3.46Å; R1341-W1348 VanDerWaalsContact CA-CE3 3.48Å; R1341-W1348 HydrophobicContact CB-CD2 3.91Å; R1341-W1348 HydrophobicContact CB-CE3 3.44Å; R1341-W1348 VanDerWaalsContact CB-CE3 3.44Å; R1341-W1348 HydrophobicContact CB-CH2 4.32Å; R1341-W1348 HydrophobicContact CB-CZ3 3.68Å; R1341-W1348 HydrophobicContact CG-CD2 3.81Å; R1341-W1348 HydrophobicContact CG-CE3 3.88Å; R1341-W1348 HydrophobicContact CG-CG 4.38Å; R1341-W1348 HydrophobicContact CG-CH2 4.39Å; R1341-W1348 HydrophobicContact CG-CZ2 4.31Å; R1341-W1348 HydrophobicContact CG-CZ3 4.16Å |
| 1342 | L | 53.3 | Low | 51.2 | Low | 67 Ų | 67 | 37.5 Ų | 37.5 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -92.9 | -33 | -177.7 | -69.6 | 162.8 | 0 | 0 | 0 | 112.3 | W1180 L1202 Y1304 N1338 | W1180-L1342 PolarHBondContact NE1-O 3.27Å; L1202-L1342 HydrophobicContact CD2-CD2 4.48Å; Y1304-L1342 HydrophobicContact CE2-CB 4.22Å; Y1304-L1342 WeakPolarHBondContact OH-CD1 3.37Å; N1338-L1342 HydrophobicContact CB-CD1 4.38Å; N1338-L1342 WeakPolarHBondContact O-CB 3.11Å; N1338-L1342 WeakPolarHBondContact O-CG 3.44Å; N1338-L1342 PolarHBondContact O-N 2.84Å |
| 1343 | G | 55.5 | Low | 52.1 | Low | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.1 | -51.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | W1180 F1300 S1339 P1345 | W1180-G1343 PolarHBondContact NE1-O 2.65Å; F1300-G1343 WeakPolarHBondContact CE1-O 3.31Å; S1339-G1343 WeakPolarHBondContact O-CA 3.43Å; S1339-G1343 PolarHBondContact O-N 2.92Å; G1343-P1345 VanDerWaalsContact C-CD 3.47Å |
| 1344 | I | 63.2 | Low | 52.5 | Low | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | trans | -132 | 72.2 | -176.5 | -44.1 | 178.1 | 0 | 0 | 0 | 111.7 | I1213 I1296 F1300 L1340 S1346 L1347 W1348 | I1213-I1344 HydrophobicContact CD1-CG2 3.31Å; I1296-I1344 HydrophobicContact CG2-CD1 3.29Å; F1300-I1344 HydrophobicContact CB-CD1 4.45Å; F1300-I1344 HydrophobicContact CD1-CD1 4.15Å; F1300-I1344 HydrophobicContact CD1-CG1 3.73Å; F1300-I1344 HydrophobicContact CD2-CD1 3.68Å; F1300-I1344 HydrophobicContact CD2-CG1 4.15Å; F1300-I1344 HydrophobicContact CE1-CD1 4.29Å; F1300-I1344 HydrophobicContact CE1-CG1 3.68Å; F1300-I1344 HydrophobicContact CE2-CD1 3.83Å; F1300-I1344 HydrophobicContact CE2-CG1 4.1Å; F1300-I1344 HydrophobicContact CG-CD1 3.82Å; F1300-I1344 HydrophobicContact CG-CG1 3.95Å; F1300-I1344 HydrophobicContact CZ-CD1 4.12Å; F1300-I1344 HydrophobicContact CZ-CG1 3.85Å; L1340-I1344 PolarHBondContact O-N 2.88Å; L1340-I1344 VanDerWaalsContact O-N 3.13Å; I1344-S1346 PolarHBondContact O-N 3.34Å; I1344-L1347 HydrophobicContact CB-CB 4.28Å; I1344-L1347 HydrophobicContact CB-CD1 4.31Å; I1344-L1347 HydrophobicContact CB-CG 4.49Å; I1344-L1347 HydrophobicContact CD1-CD1 3.86Å; I1344-L1347 HydrophobicContact CG2-CB 3.89Å; I1344-L1347 HydrophobicContact CG2-CD1 3.91Å; I1344-L1347 HydrophobicContact CG2-CG 3.78Å; I1344-L1347 PolarHBondContact O-N 3.43Å; I1344-W1348 PolarHBondContact O-N 3.09Å; I1344-W1348 VanDerWaalsContact O-N 3.08Å | ||
| 1345 | P | 61.8 | Low | 53 | Low | 23 Ų | 23 | 34 Ų | 34 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -48.3 | -29 | 173.3 | -31.7 | 34 | 0 | 0 | 0 | 115.3 | T1205 G1343 H1349 | T1205-P1345 HydrophobicContact CG2-CB 3.95Å; T1205-P1345 HydrophobicContact CG2-CG 3.77Å; G1343-P1345 VanDerWaalsContact C-CD 3.47Å; P1345-H1349 WeakPolarHBondContact O-CB 3.46Å; P1345-H1349 PolarHBondContact O-CD2 3.41Å; P1345-H1349 VanDerWaalsContact O-CD2 3.24Å; P1345-H1349 PolarHBondContact O-N 3.06Å |
| 1346 | S | 60.3 | Low | 53.2 | Low | 17 Ų | 17 | 36 Ų | 36 | 12% | 0.119 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.3 | -36.6 | 177.9 | 45.2 | 0 | 0 | 0 | 0 | 113.8 | I1213 I1344 L1350 | I1213-S1346 VanDerWaalsContact CD1-OG 3.29Å; I1213-S1346 WeakPolarHBondContact CD1-OG 3.45Å; I1344-S1346 PolarHBondContact O-N 3.34Å; S1346-L1350 WeakPolarHBondContact O-CB 3.5Å; S1346-L1350 PolarHBondContact O-N 2.82Å |
| 1347 | L | 61.6 | Low | 53.2 | Low | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -41.4 | 169.8 | -76.6 | 175.7 | 0 | 0 | 0 | 110.6 | I1213 L1293 I1296 I1344 H1349 L1350 F1351 | I1213-L1347 HydrophobicContact CD1-CG 4.29Å; I1213-L1347 HydrophobicContact CG2-CD2 3.49Å; I1213-L1347 VanDerWaalsContact CG2-CD2 3.49Å; I1213-L1347 HydrophobicContact CG2-CG 3.86Å; L1293-L1347 HydrophobicContact CD2-CD1 4.43Å; L1293-L1347 HydrophobicContact CD2-CD2 3.92Å; I1296-L1347 HydrophobicContact CG2-CD1 4.39Å; I1344-L1347 HydrophobicContact CB-CB 4.28Å; I1344-L1347 HydrophobicContact CB-CD1 4.31Å; I1344-L1347 HydrophobicContact CB-CG 4.49Å; I1344-L1347 HydrophobicContact CD1-CD1 3.86Å; I1344-L1347 HydrophobicContact CG2-CB 3.89Å; I1344-L1347 HydrophobicContact CG2-CD1 3.91Å; I1344-L1347 HydrophobicContact CG2-CG 3.78Å; I1344-L1347 PolarHBondContact O-N 3.43Å; L1347-H1349 VanDerWaalsContact C-N 3.28Å; L1347-H1349 PolarHBondContact O-N 3.02Å; L1347-L1350 PolarHBondContact O-N 3.2Å; L1347-L1350 VanDerWaalsContact O-N 3.09Å; L1347-F1351 HydrophobicContact CB-CD2 4.13Å; L1347-F1351 HydrophobicContact CB-CE2 3.88Å; L1347-F1351 HydrophobicContact CD2-CE2 3.66Å; L1347-F1351 HydrophobicContact CD2-CZ 3.96Å; L1347-F1351 HydrophobicContact CG-CE2 4.21Å; L1347-F1351 WeakPolarHBondContact O-CD2 3.41Å; L1347-F1351 PolarHBondContact O-N 3.33Å |
| 1348 | W | 60 | Low | 53.1 | Low | 51 Ų | 51 | 41.5 Ų | 41.5 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 172.8 | -174 | -75.8 | 0 | 0 | 0 | 111.9 | L1337 R1341 I1344 L1350 W1352 I1353 | L1337-W1348 HydrophobicContact CD2-CZ3 4.42Å; R1341-W1348 VanDerWaalsContact CA-CE3 3.48Å; R1341-W1348 HydrophobicContact CB-CD2 3.91Å; R1341-W1348 HydrophobicContact CB-CE3 3.44Å; R1341-W1348 VanDerWaalsContact CB-CE3 3.44Å; R1341-W1348 HydrophobicContact CB-CH2 4.32Å; R1341-W1348 HydrophobicContact CB-CZ3 3.68Å; R1341-W1348 HydrophobicContact CG-CD2 3.81Å; R1341-W1348 HydrophobicContact CG-CE3 3.88Å; R1341-W1348 HydrophobicContact CG-CG 4.38Å; R1341-W1348 HydrophobicContact CG-CH2 4.39Å; R1341-W1348 HydrophobicContact CG-CZ2 4.31Å; R1341-W1348 HydrophobicContact CG-CZ3 4.16Å; I1344-W1348 PolarHBondContact O-N 3.09Å; I1344-W1348 VanDerWaalsContact O-N 3.08Å; W1348-L1350 VanDerWaalsContact C-N 3.34Å; W1348-W1352 HydrophobicContact CD2-CD2 4.36Å; W1348-W1352 AromaticContact CD2-CE3 3.43Å; W1348-W1352 HydrophobicContact CD2-CE3 3.43Å; W1348-W1352 VanDerWaalsContact CD2-CE3 3.43Å; W1348-W1352 AromaticContact CD2-CZ3 3.85Å; W1348-W1352 HydrophobicContact CD2-CZ3 3.85Å; W1348-W1352 AromaticContact CE2-CE3 3.76Å; W1348-W1352 HydrophobicContact CE3-CD2 4.41Å; W1348-W1352 AromaticContact CE3-CE3 3.31Å; W1348-W1352 HydrophobicContact CE3-CE3 3.31Å; W1348-W1352 HydrophobicContact CE3-CH2 4.18Å; W1348-W1352 AromaticContact CE3-CZ3 3.19Å; W1348-W1352 HydrophobicContact CE3-CZ3 3.19Å; W1348-W1352 HydrophobicContact CG-CE3 4.05Å; W1348-W1352 HydrophobicContact CH2-CD2 4.21Å; W1348-W1352 AromaticContact CH2-CE3 3.83Å; W1348-W1352 HydrophobicContact CH2-CE3 3.83Å; W1348-W1352 HydrophobicContact CH2-CH2 4.23Å; W1348-W1352 AromaticContact CH2-CZ3 3.86Å; W1348-W1352 HydrophobicContact CH2-CZ3 3.86Å; W1348-W1352 HydrophobicContact CZ2-CD2 4.18Å; W1348-W1352 AromaticContact CZ2-CE3 3.95Å; W1348-W1352 HydrophobicContact CZ2-CE3 3.95Å; W1348-W1352 HydrophobicContact CZ2-CZ3 4.44Å; W1348-W1352 HydrophobicContact CZ3-CD2 4.34Å; W1348-W1352 AromaticContact CZ3-CE3 3.53Å; W1348-W1352 HydrophobicContact CZ3-CE3 3.53Å; W1348-W1352 AromaticContact CZ3-CH2 3.75Å; W1348-W1352 HydrophobicContact CZ3-CH2 3.75Å; W1348-W1352 AromaticContact CZ3-CZ3 3.2Å; W1348-W1352 HydrophobicContact CZ3-CZ3 3.2Å; W1348-W1352 PolarHBondContact O-N 3.33Å; W1348-I1353 PolarHBondContact O-N 3.19Å |
| 1349 | H | 59.3 | Low | 52.8 | Low | 74 Ų | 74 | 42.1 Ų | 42.1 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -65.9 | -36.8 | 173.5 | -98.8 | -78 | 0 | 0 | 0 | 112.5 | P1345 L1347 I1353 N1354 | P1345-H1349 WeakPolarHBondContact O-CB 3.46Å; P1345-H1349 PolarHBondContact O-CD2 3.41Å; P1345-H1349 VanDerWaalsContact O-CD2 3.24Å; P1345-H1349 PolarHBondContact O-N 3.06Å; L1347-H1349 VanDerWaalsContact C-N 3.28Å; L1347-H1349 PolarHBondContact O-N 3.02Å; H1349-I1353 CarbonylContact O-C 3.58Å; H1349-I1353 PolarHBondContact O-N 3.3Å; H1349-N1354 WeakPolarHBondContact O-CB 3.41Å; H1349-N1354 PolarHBondContact O-N 2.92Å; H1349-N1354 PolarHBondContact O-ND2 3.15Å |
| 1350 | L | 55.5 | Low | 52.3 | Low | 29 Ų | 29 | 44.5 Ų | 44.5 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -71.1 | -51.1 | 178 | -165 | 88.8 | 0 | 0 | 0 | 111.7 | T1217 S1346 L1347 W1348 P1355 T1520 | T1217-L1350 HydrophobicContact CG2-CD1 4.36Å; T1217-L1350 HydrophobicContact CG2-CD2 3.64Å; T1217-L1350 WeakPolarHBondContact OG1-CD2 3.5Å; S1346-L1350 WeakPolarHBondContact O-CB 3.5Å; S1346-L1350 PolarHBondContact O-N 2.82Å; L1347-L1350 PolarHBondContact O-N 3.2Å; L1347-L1350 VanDerWaalsContact O-N 3.09Å; W1348-L1350 VanDerWaalsContact C-N 3.34Å; L1350-P1355 WeakPolarHBondContact O-CD 3.3Å; L1350-T1520 WeakPolarHBondContact O-CG2 3.49Å |
| 1351 | F | 53.4 | Low | 51.7 | Low | 29 Ų | 29 | 46.9 Ų | 46.9 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -77.4 | -42.3 | -174.1 | -63.7 | -55 | 0 | 0 | 0 | 114.6 | L1347 P1355 T1520 T1523 F1524 I1527 | L1347-F1351 HydrophobicContact CB-CD2 4.13Å; L1347-F1351 HydrophobicContact CB-CE2 3.88Å; L1347-F1351 HydrophobicContact CD2-CE2 3.66Å; L1347-F1351 HydrophobicContact CD2-CZ 3.96Å; L1347-F1351 HydrophobicContact CG-CE2 4.21Å; L1347-F1351 WeakPolarHBondContact O-CD2 3.41Å; L1347-F1351 PolarHBondContact O-N 3.33Å; F1351-P1355 WeakPolarHBondContact O-CG 3.28Å; F1351-T1520 HydrophobicContact CD1-CG2 3.78Å; F1351-T1523 HydrophobicContact CE1-CG2 3.71Å; F1351-T1523 HydrophobicContact CZ-CG2 3.71Å; F1351-F1524 HydrophobicContact CD1-CB 4.03Å; F1351-F1524 HydrophobicContact CD1-CD2 4.36Å; F1351-F1524 HydrophobicContact CE1-CB 4.22Å; F1351-F1524 HydrophobicContact CG-CD2 4.48Å; F1351-I1527 HydrophobicContact CE1-CD1 4.4Å; F1351-I1527 HydrophobicContact CE2-CD1 3.94Å; F1351-I1527 HydrophobicContact CZ-CD1 3.47Å; F1351-I1527 VanDerWaalsContact CZ-CD1 3.47Å |
| 1352 | W | 50.6 | Low | 51 | Low | 36 Ų | 36 | 43.9 Ų | 43.9 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -105.6 | -56.9 | -175.6 | -76.5 | -66.3 | 0 | 0 | 0 | 111.7 | L1337 W1348 N1354 V1356 | L1337-W1352 HydrophobicContact CD2-CH2 3.63Å; L1337-W1352 HydrophobicContact CD2-CZ2 4.03Å; W1348-W1352 HydrophobicContact CD2-CD2 4.36Å; W1348-W1352 AromaticContact CD2-CE3 3.43Å; W1348-W1352 HydrophobicContact CD2-CE3 3.43Å; W1348-W1352 VanDerWaalsContact CD2-CE3 3.43Å; W1348-W1352 AromaticContact CD2-CZ3 3.85Å; W1348-W1352 HydrophobicContact CD2-CZ3 3.85Å; W1348-W1352 AromaticContact CE2-CE3 3.76Å; W1348-W1352 HydrophobicContact CE3-CD2 4.41Å; W1348-W1352 AromaticContact CE3-CE3 3.31Å; W1348-W1352 HydrophobicContact CE3-CE3 3.31Å; W1348-W1352 HydrophobicContact CE3-CH2 4.18Å; W1348-W1352 AromaticContact CE3-CZ3 3.19Å; W1348-W1352 HydrophobicContact CE3-CZ3 3.19Å; W1348-W1352 HydrophobicContact CG-CE3 4.05Å; W1348-W1352 HydrophobicContact CH2-CD2 4.21Å; W1348-W1352 AromaticContact CH2-CE3 3.83Å; W1348-W1352 HydrophobicContact CH2-CE3 3.83Å; W1348-W1352 HydrophobicContact CH2-CH2 4.23Å; W1348-W1352 AromaticContact CH2-CZ3 3.86Å; W1348-W1352 HydrophobicContact CH2-CZ3 3.86Å; W1348-W1352 HydrophobicContact CZ2-CD2 4.18Å; W1348-W1352 AromaticContact CZ2-CE3 3.95Å; W1348-W1352 HydrophobicContact CZ2-CE3 3.95Å; W1348-W1352 HydrophobicContact CZ2-CZ3 4.44Å; W1348-W1352 HydrophobicContact CZ3-CD2 4.34Å; W1348-W1352 AromaticContact CZ3-CE3 3.53Å; W1348-W1352 HydrophobicContact CZ3-CE3 3.53Å; W1348-W1352 AromaticContact CZ3-CH2 3.75Å; W1348-W1352 HydrophobicContact CZ3-CH2 3.75Å; W1348-W1352 AromaticContact CZ3-CZ3 3.2Å; W1348-W1352 HydrophobicContact CZ3-CZ3 3.2Å; W1348-W1352 PolarHBondContact O-N 3.33Å; W1352-N1354 PolarHBondContact O-N 2.96Å; W1352-V1356 WeakPolarHBondContact O-CB 3.26Å; W1352-V1356 WeakPolarHBondContact O-CG2 3.29Å; W1352-V1356 PolarHBondContact O-N 3.18Å |
| 1353 | I | 49 | Very low | 50.3 | Low | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -73.6 | -34.3 | -166.9 | -57 | 173.9 | 0 | 0 | 0 | 112.7 | W1348 H1349 K1357 | W1348-I1353 PolarHBondContact O-N 3.19Å; H1349-I1353 CarbonylContact O-C 3.58Å; H1349-I1353 PolarHBondContact O-N 3.3Å; I1353-K1357 HydrophobicContact CG2-CD 3.77Å; I1353-K1357 HydrophobicContact CG2-CG 3.93Å; I1353-K1357 WeakPolarHBondContact O-CA 2.98Å; I1353-K1357 WeakPolarHBondContact O-CB 3.19Å; I1353-K1357 WeakPolarHBondContact O-CG 3.42Å; I1353-K1357 PolarHBondContact O-N 2.75Å |
| 1354 | N | 49.7 | Very low | 49.4 | Very low | 59 Ų | 59 | 50.1 Ų | 50.1 | 32% | 0.316 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -76.3 | -46.7 | -178.4 | -75.5 | -11.8 | 0 | 0 | 0 | 112.3 | H1349 W1352 K1357 I1358 | H1349-N1354 WeakPolarHBondContact O-CB 3.41Å; H1349-N1354 PolarHBondContact O-N 2.92Å; H1349-N1354 PolarHBondContact O-ND2 3.15Å; W1352-N1354 PolarHBondContact O-N 2.96Å; N1354-K1357 CarbonylContact O-C 2.91Å; N1354-K1357 PolarHBondContact O-N 3.41Å; N1354-I1358 WeakPolarHBondContact O-CB 3.28Å; N1354-I1358 WeakPolarHBondContact O-CG1 3.24Å; N1354-I1358 PolarHBondContact O-N 3.2Å |
| 1355 | P | 46.1 | Very low | 48.2 | Very low | 27 Ų | 27 | 57.5 Ų | 57.5 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 170.9 | -26.9 | 36 | 0 | 0 | 0 | 111.1 | L1350 F1351 K1357 I1358 V1359 T1520 | L1350-P1355 WeakPolarHBondContact O-CD 3.3Å; F1351-P1355 WeakPolarHBondContact O-CG 3.28Å; P1355-K1357 VanDerWaalsContact C-N 3.32Å; P1355-K1357 PolarHBondContact O-N 3.48Å; P1355-I1358 PolarHBondContact O-N 3.21Å; P1355-V1359 WeakPolarHBondContact O-CB 3.28Å; P1355-V1359 VanDerWaalsContact O-CG2 3.29Å; P1355-V1359 WeakPolarHBondContact O-CG2 3.35Å; P1355-V1359 PolarHBondContact O-N 2.93Å; P1355-T1520 HydrophobicContact CG-CG2 3.8Å |
| 1356 | V | 42.5 | Very low | 46.9 | Very low | 54 Ų | 54 | 57.3 Ų | 57.3 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -27.1 | 176.8 | 177.8 | 0 | 0 | 0 | 0 | 112 | W1352 I1360 P1546 | W1352-V1356 WeakPolarHBondContact O-CB 3.26Å; W1352-V1356 WeakPolarHBondContact O-CG2 3.29Å; W1352-V1356 PolarHBondContact O-N 3.18Å; V1356-I1360 HydrophobicContact CG1-CD1 3.64Å; V1356-I1360 HydrophobicContact CG1-CG1 4.21Å; V1356-I1360 WeakPolarHBondContact O-CB 3.38Å; V1356-I1360 WeakPolarHBondContact O-CD1 3.22Å; V1356-I1360 WeakPolarHBondContact O-CG1 3.42Å; V1356-I1360 PolarHBondContact O-N 3.32Å; V1356-P1546 HydrophobicContact CG2-CG 4.44Å |
| 1357 | K | 42.7 | Very low | 45.6 | Very low | 105 Ų | 105 | 59.8 Ų | 59.8 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -78.5 | -30.1 | 169.4 | -84.6 | -178.3 | -179.3 | 178.6 | 0 | 113.2 | I1353 N1354 P1355 N1361 | I1353-K1357 HydrophobicContact CG2-CD 3.77Å; I1353-K1357 HydrophobicContact CG2-CG 3.93Å; I1353-K1357 WeakPolarHBondContact O-CA 2.98Å; I1353-K1357 WeakPolarHBondContact O-CB 3.19Å; I1353-K1357 WeakPolarHBondContact O-CG 3.42Å; I1353-K1357 PolarHBondContact O-N 2.75Å; N1354-K1357 CarbonylContact O-C 2.91Å; N1354-K1357 PolarHBondContact O-N 3.41Å; P1355-K1357 VanDerWaalsContact C-N 3.32Å; P1355-K1357 PolarHBondContact O-N 3.48Å; K1357-N1361 WeakPolarHBondContact O-CA 3.12Å; K1357-N1361 WeakPolarHBondContact O-CB 3.13Å; K1357-N1361 PolarHBondContact O-N 3.1Å; K1357-N1361 PolarHBondContact O-ND2 3.31Å |
| 1358 | I | 44.5 | Very low | 44.2 | Very low | 42 Ų | 42 | 61 Ų | 61 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -44.9 | 174 | -72.8 | 163.4 | 0 | 0 | 0 | 107.6 | N1354 P1355 N1361 L1362 I1516 | N1354-I1358 WeakPolarHBondContact O-CB 3.28Å; N1354-I1358 WeakPolarHBondContact O-CG1 3.24Å; N1354-I1358 PolarHBondContact O-N 3.2Å; P1355-I1358 PolarHBondContact O-N 3.21Å; I1358-N1361 PolarHBondContact O-N 2.97Å; I1358-L1362 HydrophobicContact CG2-CD1 3.83Å; I1358-L1362 HydrophobicContact CG2-CG 4.44Å; I1358-L1362 VanDerWaalsContact O-CB 3.26Å; I1358-L1362 WeakPolarHBondContact O-CB 3.44Å; I1358-L1362 WeakPolarHBondContact O-CD1 3.45Å; I1358-L1362 WeakPolarHBondContact O-CG 3.37Å; I1358-L1362 PolarHBondContact O-N 3.33Å; I1358-I1516 HydrophobicContact CD1-CG2 4.4Å |
| 1359 | V | 41 | Very low | 43 | Very low | 61 Ų | 61 | 62.1 Ų | 62.1 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.1 | -54.7 | 168.5 | 174 | 0 | 0 | 0 | 0 | 110.7 | P1355 N1361 L1362 Y1363 | P1355-V1359 WeakPolarHBondContact O-CB 3.28Å; P1355-V1359 VanDerWaalsContact O-CG2 3.29Å; P1355-V1359 WeakPolarHBondContact O-CG2 3.35Å; P1355-V1359 PolarHBondContact O-N 2.93Å; V1359-N1361 VanDerWaalsContact C-N 3.27Å; V1359-N1361 PolarHBondContact O-N 3.09Å; V1359-L1362 WeakPolarHBondContact O-CB 3.31Å; V1359-L1362 PolarHBondContact O-N 2.97Å; V1359-L1362 VanDerWaalsContact O-N 3.16Å; V1359-Y1363 HydrophobicContact CG1-CD2 3.77Å; V1359-Y1363 HydrophobicContact CG1-CE2 3.81Å; V1359-Y1363 WeakPolarHBondContact O-CB 3.41Å; V1359-Y1363 VanDerWaalsContact O-CD2 3.22Å; V1359-Y1363 WeakPolarHBondContact O-CD2 3.47Å; V1359-Y1363 PolarHBondContact O-N 3.37Å |
| 1360 | I | 40.1 | Very low | 41.8 | Very low | 50 Ų | 50 | 60.4 Ų | 60.4 | 26% | 0.256 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -29.6 | 178.1 | -72 | 168.8 | 0 | 0 | 0 | 112.5 | V1356 R1364 | V1356-I1360 HydrophobicContact CG1-CD1 3.64Å; V1356-I1360 HydrophobicContact CG1-CG1 4.21Å; V1356-I1360 WeakPolarHBondContact O-CB 3.38Å; V1356-I1360 WeakPolarHBondContact O-CD1 3.22Å; V1356-I1360 WeakPolarHBondContact O-CG1 3.42Å; V1356-I1360 PolarHBondContact O-N 3.32Å; I1360-R1364 HydrophobicContact CG2-CG 4.3Å; I1360-R1364 WeakPolarHBondContact O-CB 3.49Å; I1360-R1364 WeakPolarHBondContact O-CG 3.33Å; I1360-R1364 PolarHBondContact O-N 3.13Å |
| 1361 | N | 42.4 | Very low | 40.7 | Very low | 77 Ų | 77 | 65.2 Ų | 65.2 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -79.8 | -34.1 | 174.9 | -75.4 | -16.8 | 0 | 0 | 0 | 112 | K1357 I1358 V1359 Y1363 R1364 Q1365 | K1357-N1361 WeakPolarHBondContact O-CA 3.12Å; K1357-N1361 WeakPolarHBondContact O-CB 3.13Å; K1357-N1361 PolarHBondContact O-N 3.1Å; K1357-N1361 PolarHBondContact O-ND2 3.31Å; I1358-N1361 PolarHBondContact O-N 2.97Å; V1359-N1361 VanDerWaalsContact C-N 3.27Å; V1359-N1361 PolarHBondContact O-N 3.09Å; N1361-Y1363 VanDerWaalsContact C-N 3.34Å; N1361-R1364 PolarHBondContact O-N 3.42Å; N1361-Q1365 WeakPolarHBondContact O-CB 3.14Å; N1361-Q1365 WeakPolarHBondContact O-CG 3.41Å; N1361-Q1365 PolarHBondContact O-N 2.68Å |
| 1362 | L | 38.8 | Very low | 39.7 | Very low | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.277 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 168.3 | -74.6 | 163 | 0 | 0 | 0 | 109.6 | I1358 V1359 Q1365 S1366 L1509 | I1358-L1362 HydrophobicContact CG2-CD1 3.83Å; I1358-L1362 HydrophobicContact CG2-CG 4.44Å; I1358-L1362 VanDerWaalsContact O-CB 3.26Å; I1358-L1362 WeakPolarHBondContact O-CB 3.44Å; I1358-L1362 WeakPolarHBondContact O-CD1 3.45Å; I1358-L1362 WeakPolarHBondContact O-CG 3.37Å; I1358-L1362 PolarHBondContact O-N 3.33Å; V1359-L1362 WeakPolarHBondContact O-CB 3.31Å; V1359-L1362 PolarHBondContact O-N 2.97Å; V1359-L1362 VanDerWaalsContact O-N 3.16Å; L1362-Q1365 PolarHBondContact O-N 3.38Å; L1362-S1366 WeakPolarHBondContact O-CB 3.48Å; L1362-S1366 PolarHBondContact O-N 3.02Å; L1362-S1366 PolarHBondContact O-OG 3.29Å; L1362-L1509 HydrophobicContact CD2-CD2 4.48Å |
| 1363 | Y | 38.1 | Very low | 39 | Very low | 50 Ų | 50 | 73.2 Ų | 73.2 | 20% | 0.196 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.1 | -32 | 175.6 | -85 | -109 | 0 | 0 | 0 | 113 | V1359 N1361 S1366 G1367 I1368 F1375 P1498 | V1359-Y1363 HydrophobicContact CG1-CD2 3.77Å; V1359-Y1363 HydrophobicContact CG1-CE2 3.81Å; V1359-Y1363 WeakPolarHBondContact O-CB 3.41Å; V1359-Y1363 VanDerWaalsContact O-CD2 3.22Å; V1359-Y1363 WeakPolarHBondContact O-CD2 3.47Å; V1359-Y1363 PolarHBondContact O-N 3.37Å; N1361-Y1363 VanDerWaalsContact C-N 3.34Å; Y1363-S1366 VanDerWaalsContact CA-OG 3.31Å; Y1363-S1366 WeakPolarHBondContact CA-OG 3.15Å; Y1363-S1366 CarbonylContact O-C 3.6Å; Y1363-S1366 VanDerWaalsContact O-C 3.26Å; Y1363-S1366 PolarHBondContact O-N 3.12Å; Y1363-S1366 PolarHBondContact O-OG 3.27Å; Y1363-G1367 PolarHBondContact O-N 3.14Å; Y1363-I1368 HydrophobicContact CD1-CD1 3.78Å; Y1363-I1368 HydrophobicContact CE1-CD1 4.31Å; Y1363-I1368 WeakPolarHBondContact O-CB 3.47Å; Y1363-I1368 PolarHBondContact O-N 3.09Å; Y1363-F1375 HydrophobicContact CD1-CE1 4.45Å; Y1363-P1498 HydrophobicContact CD1-CB 4.24Å; Y1363-P1498 HydrophobicContact CD1-CG 4.33Å; Y1363-P1498 HydrophobicContact CE1-CB 3.89Å; Y1363-P1498 HydrophobicContact CE1-CG 3.68Å |
| 1364 | R | 36.9 | Very low | 38 | Very low | 151 Ų | 151 | 78.4 Ų | 78.4 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -76.5 | -35.5 | 172 | -82.1 | 175 | 168.9 | 179.4 | -5.5 | 112.7 | I1360 N1361 S1366 G1367 | I1360-R1364 HydrophobicContact CG2-CG 4.3Å; I1360-R1364 WeakPolarHBondContact O-CB 3.49Å; I1360-R1364 WeakPolarHBondContact O-CG 3.33Å; I1360-R1364 PolarHBondContact O-N 3.13Å; N1361-R1364 PolarHBondContact O-N 3.42Å; R1364-S1366 PolarHBondContact O-N 3.24Å; R1364-G1367 PolarHBondContact O-N 3.36Å |
| 1365 | Q | 38.7 | Very low | 37.3 | Very low | 162 Ų | 162 | 81.1 Ų | 81.1 | 76% | 0.757 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.4 | -28 | 168.9 | -75.5 | 170.9 | -18.8 | 0 | 0 | 110.6 | N1361 L1362 G1367 | N1361-Q1365 WeakPolarHBondContact O-CB 3.14Å; N1361-Q1365 WeakPolarHBondContact O-CG 3.41Å; N1361-Q1365 PolarHBondContact O-N 2.68Å; L1362-Q1365 PolarHBondContact O-N 3.38Å; Q1365-G1367 VanDerWaalsContact C-N 3.3Å |
| 1366 | S | 33.6 | Very low | 36.7 | Very low | 19 Ų | 19 | 83.9 Ų | 83.9 | 13% | 0.133 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 17.4 | 167.5 | 87.9 | 0 | 0 | 0 | 0 | 114 | L1362 Y1363 R1364 I1368 L1501 | L1362-S1366 WeakPolarHBondContact O-CB 3.48Å; L1362-S1366 PolarHBondContact O-N 3.02Å; L1362-S1366 PolarHBondContact O-OG 3.29Å; Y1363-S1366 VanDerWaalsContact CA-OG 3.31Å; Y1363-S1366 WeakPolarHBondContact CA-OG 3.15Å; Y1363-S1366 CarbonylContact O-C 3.6Å; Y1363-S1366 VanDerWaalsContact O-C 3.26Å; Y1363-S1366 PolarHBondContact O-N 3.12Å; Y1363-S1366 PolarHBondContact O-OG 3.27Å; R1364-S1366 PolarHBondContact O-N 3.24Å; S1366-I1368 PolarHBondContact O-N 3.38Å; S1366-L1501 WeakPolarHBondContact O-CD1 3.3Å |
| 1367 | G | 33.6 | Very low | 36.1 | Very low | 70 Ų | 70 | 87.2 Ų | 87.2 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 8.7 | 168 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y1363 R1364 Q1365 | Y1363-G1367 PolarHBondContact O-N 3.14Å; R1364-G1367 PolarHBondContact O-N 3.36Å; Q1365-G1367 VanDerWaalsContact C-N 3.3Å |
| 1368 | I | 31.6 | Very low | 35.6 | Very low | 31 Ų | 31 | 91.4 Ų | 91.4 | 16% | 0.159 | 48% | 0.481 | C | S | . | . | trans | -96.8 | 122.4 | -175.3 | -61.2 | 167.2 | 0 | 0 | 0 | 111 | Y1363 S1366 F1375 P1498 | Y1363-I1368 HydrophobicContact CD1-CD1 3.78Å; Y1363-I1368 HydrophobicContact CE1-CD1 4.31Å; Y1363-I1368 WeakPolarHBondContact O-CB 3.47Å; Y1363-I1368 PolarHBondContact O-N 3.09Å; S1366-I1368 PolarHBondContact O-N 3.38Å; I1368-F1375 HydrophobicContact CG2-CD1 3.82Å; I1368-F1375 HydrophobicContact CG2-CE1 4.32Å; I1368-P1498 HydrophobicContact CD1-CB 4.04Å; I1368-P1498 HydrophobicContact CD1-CG 3.86Å | ||
| 1369 | S | 34.3 | Very low | 34.9 | Very low | 75 Ų | 75 | 93.4 Ų | 93.4 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | trans | -84.4 | 145.7 | 174.8 | 179 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1370 | V | 35 | Very low | 34.2 | Very low | 38 Ų | 38 | 93.3 Ų | 93.3 | 23% | 0.23 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 112.9 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | F1375 | V1370-F1375 HydrophobicContact CG2-CD1 4.16Å; V1370-F1375 HydrophobicContact CG2-CE1 4.05Å |
| 1371 | E | 31.9 | Very low | 33.4 | Very low | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.9 | 165.4 | -75.3 | -154.6 | 139.5 | 0 | 0 | 110.7 | G1373 K1374 | E1371-G1373 PolarHBondContact O-N 3.48Å; E1371-K1374 PolarHBondContact O-N 3.13Å; E1371-K1374 VanDerWaalsContact O-N 3.15Å; E1371-K1374 VanDerWaalsContact O-O 3.05Å |
| 1372 | N | 33.3 | Very low | 32.7 | Very low | 164 Ų | 164 | 103.7 Ų | 103.7 | 88% | 0.877 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.2 | 26.9 | 173.6 | -61.8 | -29.2 | 0 | 0 | 0 | 116.9 | K1374 | N1372-K1374 PolarHBondContact O-N 3.19Š|
| 1373 | G | 35 | Very low | 32.1 | Very low | 69 Ų | 69 | 107.3 Ų | 107.3 | 71% | 0.711 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.1 | 8.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1371 | E1371-G1373 PolarHBondContact O-N 3.48Š|
| 1374 | K | 27.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 112.8 Ų | 112.8 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109 | 137 | 168.1 | -72.6 | -175.5 | 173.7 | -176.2 | 0 | 109.1 | E1371 N1372 I1376 | E1371-K1374 PolarHBondContact O-N 3.13Å; E1371-K1374 VanDerWaalsContact O-N 3.15Å; E1371-K1374 VanDerWaalsContact O-O 3.05Å; N1372-K1374 PolarHBondContact O-N 3.19Å; K1374-I1376 HydrophobicContact CB-CG1 4.45Å; K1374-I1376 PolarHBondContact O-N 2.99Å |
| 1375 | F | 34.9 | Very low | 31 | Very low | 115 Ų | 115 | 117 Ų | 117 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 107.2 | 171.5 | -66.4 | -82.9 | 0 | 0 | 0 | 108.4 | Y1363 I1368 V1370 | Y1363-F1375 HydrophobicContact CD1-CE1 4.45Å; I1368-F1375 HydrophobicContact CG2-CD1 3.82Å; I1368-F1375 HydrophobicContact CG2-CE1 4.32Å; V1370-F1375 HydrophobicContact CG2-CD1 4.16Å; V1370-F1375 HydrophobicContact CG2-CE1 4.05Å |
| 1376 | I | 33.2 | Very low | 30.4 | Very low | 86 Ų | 86 | 121 Ų | 121 | 44% | 0.441 | 65% | 0.649 | S | S | . | * | trans | -103.5 | 123.1 | -179.9 | -56.4 | 175.6 | 0 | 0 | 0 | 108.4 | K1374 E1378 | K1374-I1376 HydrophobicContact CB-CG1 4.45Å; K1374-I1376 PolarHBondContact O-N 2.99Å; I1376-E1378 HydrophobicContact CG2-CG 4.21Å | ||
| 1377 | K | 30.2 | Very low | 30.3 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 54% | 0.535 | 67% | 0.672 | S | S | . | * | trans | -87.7 | 137.2 | 160.9 | -82.2 | 170.4 | 160.7 | 161.5 | 0 | 107.5 | N1494 | K1377-N1494 WeakPolarHBondContact CE-OD1 3.47Å; K1377-N1494 PolarHBondContact NZ-OD1 3.12Å | ||
| 1378 | E | 32 | Very low | 30.2 | Very low | 193 Ų | 193 | 124.5 Ų | 124.5 | 90% | 0.902 | 66% | 0.664 | S | S | * | * | trans | -122.9 | 135.3 | 171.5 | -90.6 | -162.8 | 161.3 | 0 | 0 | 112.6 | I1376 | I1376-E1378 HydrophobicContact CG2-CG 4.21Š| ||
| 1379 | G | 31 | Very low | 30.1 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 88% | 0.876 | 69% | 0.691 | S | S | * | * | trans | 136.3 | 96 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1380 | G | 25.5 | Very low | 30.1 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | cis | -130.6 | -167.1 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1381 | E | 23.6 | Very low | 30.2 | Very low | 199 Ų | 199 | 137.1 Ų | 137.1 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | S | Bend | cis | -80.9 | 164.7 | 29.2 | -66.8 | -169.8 | 136.4 | 0 | 0 | 117.8 | ||
| 1382 | I | 28.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -101.4 | 136.2 | -174.1 | -68.6 | 164.2 | 0 | 0 | 0 | 110.2 | ||||
| 1383 | P | 24.9 | Very low | 30.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | trans | -106.9 | 120.3 | 136.8 | -10.2 | 28.4 | 0 | 0 | 0 | 111.4 | R1385 | P1383-R1385 PolarHBondContact O-N 3.12Š| ||
| 1384 | E | 25.7 | Very low | 30.7 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -21 | 110.7 | 176.4 | -54.4 | -178.3 | 133.5 | 0 | 0 | 118.1 | ||
| 1385 | R | 27 | Very low | 31.3 | Very low | 239 Ų | 239 | 132.1 Ų | 132.1 | 90% | 0.902 | 67% | 0.67 | S | S | * | * | trans | -154.5 | 73.9 | 135.9 | -108.6 | 161.2 | -156.9 | -153.6 | 5 | 112 | P1383 G1387 | P1383-R1385 PolarHBondContact O-N 3.12Å; R1385-G1387 PolarHBondContact O-N 2.81Å | ||
| 1386 | R | 25.6 | Very low | 31.4 | Very low | 246 Ų | 246 | 131.3 Ų | 131.3 | 93% | 0.928 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | 122.9 | 167.4 | -65.9 | 172.8 | 174.3 | 163.6 | -1.8 | 109.8 | ||
| 1387 | G | 30.9 | Very low | 31.6 | Very low | 58 Ų | 58 | 130.5 Ų | 130.5 | 60% | 0.598 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.2 | -37 | 170 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1385 | R1385-G1387 PolarHBondContact O-N 2.81Š|
| 1388 | N | 31.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -94.9 | -10.7 | -165.6 | -76.7 | -19 | 0 | 0 | 0 | 116.4 | H1390 L1391 T1392 | N1388-H1390 PolarHBondContact O-N 3.16Å; N1388-L1391 HydrophobicContact CB-CB 4.49Å; N1388-L1391 CarbonylContact O-C 3.6Å; N1388-L1391 WeakPolarHBondContact O-CA 3.48Å; N1388-L1391 VanDerWaalsContact O-CB 3.29Å; N1388-L1391 WeakPolarHBondContact O-CB 3.32Å; N1388-L1391 PolarHBondContact O-N 3.15Å; N1388-T1392 PolarHBondContact O-N 3.48Å; N1388-T1392 PolarHBondContact O-OG1 3.41Å; N1388-T1392 VanDerWaalsContact O-OG1 3.05Å |
| 1389 | F | 30.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.7 | -40.2 | -179.9 | -152.4 | -97 | 0 | 0 | 0 | 112.4 | L1391 T1392 L1393 | F1389-L1391 PolarHBondContact O-N 3.05Å; F1389-T1392 PolarHBondContact O-N 3.24Å; F1389-L1393 HydrophobicContact CD1-CD1 3.92Å; F1389-L1393 HydrophobicContact CE1-CD1 3.9Å; F1389-L1393 HydrophobicContact CE1-CG 4.47Å; F1389-L1393 PolarHBondContact O-N 2.94Å |
| 1390 | H | 33.4 | Very low | 33.3 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 71% | 0.713 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.3 | -26.2 | 170.2 | -158.7 | -34.1 | 0 | 0 | 0 | 111.7 | N1388 K1394 | N1388-H1390 PolarHBondContact O-N 3.16Å; H1390-K1394 WeakPolarHBondContact O-CB 3.42Å; H1390-K1394 PolarHBondContact O-N 3.44Å |
| 1391 | L | 38.3 | Very low | 34 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 47% | 0.466 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -80.3 | -25.9 | 175.3 | -145.8 | 117.3 | 0 | 0 | 0 | 112.4 | N1388 F1389 K1395 | N1388-L1391 HydrophobicContact CB-CB 4.49Å; N1388-L1391 CarbonylContact O-C 3.6Å; N1388-L1391 WeakPolarHBondContact O-CA 3.48Å; N1388-L1391 VanDerWaalsContact O-CB 3.29Å; N1388-L1391 WeakPolarHBondContact O-CB 3.32Å; N1388-L1391 PolarHBondContact O-N 3.15Å; F1389-L1391 PolarHBondContact O-N 3.05Å; L1391-K1395 VanDerWaalsContact O-CB 3.24Å; L1391-K1395 WeakPolarHBondContact O-CB 3.42Å; L1391-K1395 VanDerWaalsContact O-CG 3.23Å; L1391-K1395 WeakPolarHBondContact O-CG 3.41Å; L1391-K1395 PolarHBondContact O-N 3.47Å |
| 1392 | T | 34.9 | Very low | 34.8 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 43% | 0.429 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -81.4 | -43.5 | 174.1 | -56 | 0 | 0 | 0 | 0 | 110.9 | N1388 F1389 K1394 K1395 L1396 | N1388-T1392 PolarHBondContact O-N 3.48Å; N1388-T1392 PolarHBondContact O-OG1 3.41Å; N1388-T1392 VanDerWaalsContact O-OG1 3.05Å; F1389-T1392 PolarHBondContact O-N 3.24Å; T1392-K1394 VanDerWaalsContact C-N 3.32Å; T1392-K1394 PolarHBondContact O-N 2.74Å; T1392-K1395 CarbonylContact O-C 3.59Å; T1392-K1395 PolarHBondContact O-N 2.94Å; T1392-L1396 HydrophobicContact CG2-CD1 4.25Å; T1392-L1396 WeakPolarHBondContact O-CB 3.49Å; T1392-L1396 PolarHBondContact O-N 3.5Å |
| 1393 | L | 33.6 | Very low | 35.4 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -39.9 | 167.5 | -87.9 | 163.5 | 0 | 0 | 0 | 111.5 | F1389 L1396 T1397 | F1389-L1393 HydrophobicContact CD1-CD1 3.92Å; F1389-L1393 HydrophobicContact CE1-CD1 3.9Å; F1389-L1393 HydrophobicContact CE1-CG 4.47Å; F1389-L1393 PolarHBondContact O-N 2.94Å; L1393-L1396 PolarHBondContact O-N 3.26Å; L1393-T1397 VanDerWaalsContact O-CB 3.32Å; L1393-T1397 WeakPolarHBondContact O-CB 3.47Å; L1393-T1397 PolarHBondContact O-N 3.03Å; L1393-T1397 PolarHBondContact O-OG1 3.07Å |
| 1394 | K | 41.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 53% | 0.53 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -37.6 | 173.4 | -171.6 | 172.7 | -177.5 | -178.3 | 0 | 111.8 | H1390 T1392 T1397 D1398 | H1390-K1394 WeakPolarHBondContact O-CB 3.42Å; H1390-K1394 PolarHBondContact O-N 3.44Å; T1392-K1394 VanDerWaalsContact C-N 3.32Å; T1392-K1394 PolarHBondContact O-N 2.74Å; K1394-T1397 PolarHBondContact O-N 3.18Å; K1394-D1398 WeakPolarHBondContact CG-OD2 3.44Å; K1394-D1398 WeakPolarHBondContact O-CA 3.27Å; K1394-D1398 WeakPolarHBondContact O-CB 3.13Å; K1394-D1398 PolarHBondContact O-N 3.13Å |
| 1395 | K | 41.4 | Very low | 36.4 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.1 | -41.6 | 170.1 | -86.8 | 176.3 | 175.1 | -175.8 | 0 | 112.9 | L1391 T1392 D1398 E1399 | L1391-K1395 VanDerWaalsContact O-CB 3.24Å; L1391-K1395 WeakPolarHBondContact O-CB 3.42Å; L1391-K1395 VanDerWaalsContact O-CG 3.23Å; L1391-K1395 WeakPolarHBondContact O-CG 3.41Å; L1391-K1395 PolarHBondContact O-N 3.47Å; T1392-K1395 CarbonylContact O-C 3.59Å; T1392-K1395 PolarHBondContact O-N 2.94Å; K1395-D1398 CarbonylContact O-C 3.55Å; K1395-D1398 PolarHBondContact O-N 2.97Å; K1395-E1399 WeakPolarHBondContact O-CA 3.29Å; K1395-E1399 WeakPolarHBondContact O-CB 2.85Å; K1395-E1399 WeakPolarHBondContact O-CG 3.45Å; K1395-E1399 PolarHBondContact O-N 3.35Å |
| 1396 | L | 35.8 | Very low | 36.9 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 173.1 | -98.6 | 131.2 | 0 | 0 | 0 | 111.3 | T1392 L1393 D1398 E1399 V1400 | T1392-L1396 HydrophobicContact CG2-CD1 4.25Å; T1392-L1396 WeakPolarHBondContact O-CB 3.49Å; T1392-L1396 PolarHBondContact O-N 3.5Å; L1393-L1396 PolarHBondContact O-N 3.26Å; L1396-D1398 VanDerWaalsContact C-N 3.34Å; L1396-E1399 PolarHBondContact O-N 2.85Å; L1396-V1400 VanDerWaalsContact O-CB 3.27Å; L1396-V1400 WeakPolarHBondContact O-CB 3.44Å; L1396-V1400 WeakPolarHBondContact O-CG2 3.48Å; L1396-V1400 PolarHBondContact O-N 3.03Å |
| 1397 | T | 38.2 | Very low | 37.3 | Very low | 69 Ų | 69 | 103.6 Ų | 103.6 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | L1393 K1394 K1401 | L1393-T1397 VanDerWaalsContact O-CB 3.32Å; L1393-T1397 WeakPolarHBondContact O-CB 3.47Å; L1393-T1397 PolarHBondContact O-N 3.03Å; L1393-T1397 PolarHBondContact O-OG1 3.07Å; K1394-T1397 PolarHBondContact O-N 3.18Å; T1397-K1401 HydrophobicContact CG2-CD 4.48Å; T1397-K1401 WeakPolarHBondContact O-CB 3.16Å; T1397-K1401 VanDerWaalsContact O-CG 3.23Å; T1397-K1401 WeakPolarHBondContact O-CG 3.4Å; T1397-K1401 PolarHBondContact O-N 3.09Å |
| 1398 | D | 45.6 | Very low | 37.3 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 40% | 0.396 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -78.6 | -30.3 | 178.4 | -69.3 | -19.6 | 0 | 0 | 0 | 111.3 | K1394 K1395 L1396 F1402 | K1394-D1398 WeakPolarHBondContact CG-OD2 3.44Å; K1394-D1398 WeakPolarHBondContact O-CA 3.27Å; K1394-D1398 WeakPolarHBondContact O-CB 3.13Å; K1394-D1398 PolarHBondContact O-N 3.13Å; K1395-D1398 CarbonylContact O-C 3.55Å; K1395-D1398 PolarHBondContact O-N 2.97Å; L1396-D1398 VanDerWaalsContact C-N 3.34Å; D1398-F1402 WeakPolarHBondContact O-CA 3.43Å; D1398-F1402 WeakPolarHBondContact O-CB 3.44Å; D1398-F1402 PolarHBondContact O-N 3.4Å |
| 1399 | E | 43.2 | Very low | 37.4 | Very low | 113 Ų | 113 | 110.2 Ų | 110.2 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -72.8 | -38.6 | 170.4 | -83.4 | -176.9 | 112.7 | 0 | 0 | 111.4 | K1395 L1396 F1402 N1403 | K1395-E1399 WeakPolarHBondContact O-CA 3.29Å; K1395-E1399 WeakPolarHBondContact O-CB 2.85Å; K1395-E1399 WeakPolarHBondContact O-CG 3.45Å; K1395-E1399 PolarHBondContact O-N 3.35Å; L1396-E1399 PolarHBondContact O-N 2.85Å; E1399-F1402 PolarHBondContact O-N 3.19Å; E1399-N1403 VanDerWaalsContact O-CB 3.22Å; E1399-N1403 WeakPolarHBondContact O-CB 3.46Å; E1399-N1403 VanDerWaalsContact O-CG 3.24Å; E1399-N1403 PolarHBondContact O-N 3.19Å; E1399-N1403 PolarHBondContact O-ND2 3.28Å |
| 1400 | V | 39.1 | Very low | 37.4 | Very low | 81 Ų | 81 | 105.9 Ų | 105.9 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 171.4 | 169 | 0 | 0 | 0 | 0 | 110.1 | L1396 M1404 | L1396-V1400 VanDerWaalsContact O-CB 3.27Å; L1396-V1400 WeakPolarHBondContact O-CB 3.44Å; L1396-V1400 WeakPolarHBondContact O-CG2 3.48Å; L1396-V1400 PolarHBondContact O-N 3.03Å; V1400-M1404 WeakPolarHBondContact O-CB 3.15Å; V1400-M1404 WeakPolarHBondContact O-CG 3.36Å; V1400-M1404 PolarHBondContact O-N 3.1Å |
| 1401 | K | 40.6 | Very low | 37.4 | Very low | 129 Ų | 129 | 106.8 Ų | 106.8 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 170.9 | -77.4 | 172 | 177.9 | 176.1 | 0 | 113.3 | T1397 M1404 S1405 | T1397-K1401 HydrophobicContact CG2-CD 4.48Å; T1397-K1401 WeakPolarHBondContact O-CB 3.16Å; T1397-K1401 VanDerWaalsContact O-CG 3.23Å; T1397-K1401 WeakPolarHBondContact O-CG 3.4Å; T1397-K1401 PolarHBondContact O-N 3.09Å; K1401-M1404 WeakPolarHBondContact O-CB 3.46Å; K1401-M1404 PolarHBondContact O-N 3.25Å; K1401-S1405 PolarHBondContact O-N 3.1Å; K1401-S1405 VanDerWaalsContact O-N 3.1Å |
| 1402 | F | 40.2 | Very low | 37.2 | Very low | 123 Ų | 123 | 107.8 Ų | 107.8 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72 | -39.5 | -179.9 | -176.3 | -103.1 | 0 | 0 | 0 | 111.5 | D1398 E1399 S1405 K1406 | D1398-F1402 WeakPolarHBondContact O-CA 3.43Å; D1398-F1402 WeakPolarHBondContact O-CB 3.44Å; D1398-F1402 PolarHBondContact O-N 3.4Å; E1399-F1402 PolarHBondContact O-N 3.19Å; F1402-S1405 WeakPolarHBondContact O-CB 3.1Å; F1402-S1405 PolarHBondContact O-N 3.17Å; F1402-S1405 VanDerWaalsContact O-N 3.13Å; F1402-S1405 PolarHBondContact O-OG 2.7Å; F1402-K1406 PolarHBondContact O-N 3.43Å |
| 1403 | N | 40.5 | Very low | 37.2 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.3 | -32.3 | 173.6 | -68.5 | -36.8 | 0 | 0 | 0 | 111.8 | E1399 S1405 K1406 L1407 | E1399-N1403 VanDerWaalsContact O-CB 3.22Å; E1399-N1403 WeakPolarHBondContact O-CB 3.46Å; E1399-N1403 VanDerWaalsContact O-CG 3.24Å; E1399-N1403 PolarHBondContact O-N 3.19Å; E1399-N1403 PolarHBondContact O-ND2 3.28Å; N1403-S1405 PolarHBondContact O-N 3.19Å; N1403-K1406 PolarHBondContact O-N 2.77Å; N1403-K1406 VanDerWaalsContact O-N 3.09Å; N1403-L1407 PolarHBondContact O-N 3.3Å |
| 1404 | M | 34.9 | Very low | 37.2 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 61% | 0.606 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.6 | -32.3 | 164.1 | -87.1 | -172.7 | 163.7 | 0 | 0 | 112.7 | V1400 K1401 K1406 L1407 | V1400-M1404 WeakPolarHBondContact O-CB 3.15Å; V1400-M1404 WeakPolarHBondContact O-CG 3.36Å; V1400-M1404 PolarHBondContact O-N 3.1Å; K1401-M1404 WeakPolarHBondContact O-CB 3.46Å; K1401-M1404 PolarHBondContact O-N 3.25Å; M1404-K1406 VanDerWaalsContact C-N 3.35Å; M1404-L1407 PolarHBondContact O-N 3.3Å |
| 1405 | S | 38.2 | Very low | 37.1 | Very low | 66 Ų | 66 | 109.9 Ų | 109.9 | 46% | 0.462 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.2 | -25.1 | 175.8 | 84.1 | 0 | 0 | 0 | 0 | 113.9 | K1401 F1402 N1403 | K1401-S1405 PolarHBondContact O-N 3.1Å; K1401-S1405 VanDerWaalsContact O-N 3.1Å; F1402-S1405 WeakPolarHBondContact O-CB 3.1Å; F1402-S1405 PolarHBondContact O-N 3.17Å; F1402-S1405 VanDerWaalsContact O-N 3.13Å; F1402-S1405 PolarHBondContact O-OG 2.7Å; N1403-S1405 PolarHBondContact O-N 3.19Å |
| 1406 | K | 36.4 | Very low | 36.9 | Very low | 136 Ų | 136 | 105.8 Ų | 105.8 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -80.1 | -17.7 | 173.3 | -72.6 | 179.5 | 177.1 | 173.8 | 0 | 113.4 | F1402 N1403 M1404 K1408 | F1402-K1406 PolarHBondContact O-N 3.43Å; N1403-K1406 PolarHBondContact O-N 2.77Å; N1403-K1406 VanDerWaalsContact O-N 3.09Å; M1404-K1406 VanDerWaalsContact C-N 3.35Å; K1406-K1408 PolarHBondContact O-N 3.32Å |
| 1407 | L | 34.8 | Very low | 36.9 | Very low | 97 Ų | 97 | 106.5 Ų | 106.5 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | 7 | 177.8 | -86.3 | 158 | 0 | 0 | 0 | 114.4 | N1403 M1404 S1409 V1410 | N1403-L1407 PolarHBondContact O-N 3.3Å; M1404-L1407 PolarHBondContact O-N 3.3Å; L1407-S1409 PolarHBondContact O-N 2.95Å; L1407-V1410 PolarHBondContact O-N 3.14Å |
| 1408 | K | 30.5 | Very low | 37.1 | Very low | 196 Ų | 196 | 108.6 Ų | 108.6 | 85% | 0.852 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 11.1 | 174.3 | -77.8 | -171.3 | 172 | -172.9 | 0 | 115.6 | K1406 | K1406-K1408 PolarHBondContact O-N 3.32Š|
| 1409 | S | 33.6 | Very low | 36.8 | Very low | 106 Ų | 106 | 111.8 Ų | 111.8 | 74% | 0.741 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 8 | 176 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | L1407 | L1407-S1409 PolarHBondContact O-N 2.95Š|
| 1410 | V | 31.3 | Very low | 36.6 | Very low | 74 Ų | 74 | 110.8 Ų | 110.8 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -137.6 | 115.5 | -179.3 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | L1407 L1412 | L1407-V1410 PolarHBondContact O-N 3.14Å; V1410-L1412 HydrophobicContact CG1-CD1 4.24Å; V1410-L1412 PolarHBondContact O-N 3.1Å |
| 1411 | D | 32.8 | Very low | 36.7 | Very low | 174 Ų | 174 | 111.8 Ų | 111.8 | 93% | 0.93 | 58% | 0.579 | S | S | * | * | trans | -74.4 | 114.6 | 176.2 | -72.8 | -50.2 | 0 | 0 | 0 | 111.1 | ||||
| 1412 | L | 33.7 | Very low | 36.8 | Very low | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | trans | -120 | 135.3 | 175.2 | -87.1 | 143 | 0 | 0 | 0 | 110.1 | V1410 | V1410-L1412 HydrophobicContact CG1-CD1 4.24Å; V1410-L1412 PolarHBondContact O-N 3.1Å | ||
| 1413 | P | 35.2 | Very low | 36.8 | Very low | 79 Ų | 79 | 104.4 Ų | 104.4 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | trans | -67.9 | 141.4 | -178.8 | 26.8 | -33.5 | 0 | 0 | 0 | 112.3 | S1415 S1416 | P1413-S1415 VanDerWaalsContact C-N 3.28Å; P1413-S1415 PolarHBondContact O-N 3.04Å; P1413-S1416 PolarHBondContact O-N 3.31Å; P1413-S1416 VanDerWaalsContact O-N 3.11Å | ||
| 1414 | K | 34.9 | Very low | 36.8 | Very low | 172 Ų | 172 | 104.6 Ų | 104.6 | 75% | 0.748 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -35.7 | -173.8 | -75.9 | -179.2 | 175.1 | 177.4 | 0 | 114.5 | S1416 Q1417 | K1414-S1416 PolarHBondContact O-N 2.7Å; K1414-Q1417 PolarHBondContact O-N 2.96Å; K1414-Q1417 VanDerWaalsContact O-N 3.11Å |
| 1415 | S | 39.1 | Very low | 37.2 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 57% | 0.573 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.2 | -35.6 | 179.1 | 47.6 | 0 | 0 | 0 | 0 | 113 | P1413 Q1417 | P1413-S1415 VanDerWaalsContact C-N 3.28Å; P1413-S1415 PolarHBondContact O-N 3.04Å; S1415-Q1417 VanDerWaalsContact C-N 3.31Å; S1415-Q1417 PolarHBondContact O-N 3.17Å |
| 1416 | S | 36 | Very low | 37.3 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 30% | 0.301 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -76 | -16.8 | -178.7 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | P1413 K1414 L1420 | P1413-S1416 PolarHBondContact O-N 3.31Å; P1413-S1416 VanDerWaalsContact O-N 3.11Å; K1414-S1416 PolarHBondContact O-N 2.7Å; S1416-L1420 PolarHBondContact O-N 2.89Å |
| 1417 | Q | 37 | Very low | 37.5 | Very low | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -76.6 | -38.7 | 176.2 | -68.2 | -174.5 | -35.5 | 0 | 0 | 111.9 | K1414 S1415 L1421 | K1414-Q1417 PolarHBondContact O-N 2.96Å; K1414-Q1417 VanDerWaalsContact O-N 3.11Å; S1415-Q1417 VanDerWaalsContact C-N 3.31Å; S1415-Q1417 PolarHBondContact O-N 3.17Å; Q1417-L1421 WeakPolarHBondContact O-CB 3.48Å; Q1417-L1421 PolarHBondContact O-N 2.92Å |
| 1418 | D | 41.4 | Very low | 37.8 | Very low | 113 Ų | 113 | 99.8 Ų | 99.8 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74 | -32.3 | -179.6 | -67.3 | -34.3 | 0 | 0 | 0 | 112.4 | L1421 S1422 | D1418-L1421 PolarHBondContact O-N 3.06Å; D1418-S1422 WeakPolarHBondContact O-CB 3.45Å; D1418-S1422 PolarHBondContact O-N 3.44Å; D1418-S1422 PolarHBondContact O-OG 3.48Å |
| 1419 | E | 39.8 | Very low | 38.4 | Very low | 141 Ų | 141 | 93.5 Ų | 93.5 | 66% | 0.659 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 172.2 | -69.4 | -173.1 | 142.5 | 0 | 0 | 112.3 | S1422 G1423 | E1419-S1422 WeakPolarHBondContact CA-OG 3.17Å; E1419-S1422 PolarHBondContact O-OG 3.26Å; E1419-S1422 VanDerWaalsContact O-OG 3.1Å; E1419-G1423 PolarHBondContact O-N 3.39Å |
| 1420 | L | 38.1 | Very low | 38.9 | Very low | 91 Ų | 91 | 90.5 Ų | 90.5 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 172.4 | -101.9 | 158.2 | 0 | 0 | 0 | 111.8 | S1416 L1424 | S1416-L1420 PolarHBondContact O-N 2.89Å; L1420-L1424 WeakPolarHBondContact O-CD1 3.25Å; L1420-L1424 WeakPolarHBondContact O-CG 3.27Å; L1420-L1424 PolarHBondContact O-N 2.87Å; L1420-L1424 VanDerWaalsContact O-N 3.1Å |
| 1421 | L | 41.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 91.2 Ų | 91.2 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | -179.2 | -166.5 | 68.6 | 0 | 0 | 0 | 112.1 | Q1417 D1418 I1425 | Q1417-L1421 WeakPolarHBondContact O-CB 3.48Å; Q1417-L1421 PolarHBondContact O-N 2.92Å; D1418-L1421 PolarHBondContact O-N 3.06Å; L1421-I1425 HydrophobicContact CG-CD1 4.49Å; L1421-I1425 WeakPolarHBondContact O-CD1 3.35Å; L1421-I1425 VanDerWaalsContact O-CG1 3.31Å; L1421-I1425 WeakPolarHBondContact O-CG1 3.49Å; L1421-I1425 PolarHBondContact O-N 3.07Å |
| 1422 | S | 42.9 | Very low | 39.8 | Very low | 64 Ų | 64 | 88.8 Ų | 88.8 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 177 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | D1418 E1419 L1424 I1425 V1426 | D1418-S1422 WeakPolarHBondContact O-CB 3.45Å; D1418-S1422 PolarHBondContact O-N 3.44Å; D1418-S1422 PolarHBondContact O-OG 3.48Å; E1419-S1422 WeakPolarHBondContact CA-OG 3.17Å; E1419-S1422 PolarHBondContact O-OG 3.26Å; E1419-S1422 VanDerWaalsContact O-OG 3.1Å; S1422-L1424 PolarHBondContact O-N 3.46Å; S1422-I1425 PolarHBondContact O-N 3.39Å; S1422-V1426 WeakPolarHBondContact O-CG2 3.17Å; S1422-V1426 PolarHBondContact O-N 3.37Å |
| 1423 | G | 40.4 | Very low | 40.3 | Very low | 33 Ų | 33 | 87.8 Ų | 87.8 | 34% | 0.34 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1419 I1425 V1426 L1427 | E1419-G1423 PolarHBondContact O-N 3.39Å; G1423-I1425 VanDerWaalsContact C-N 3.33Å; G1423-I1425 PolarHBondContact O-N 3.07Å; G1423-V1426 PolarHBondContact O-N 3.32Å; G1423-L1427 PolarHBondContact O-N 3.39Å |
| 1424 | L | 41.7 | Very low | 40.7 | Very low | 82 Ų | 82 | 88 Ų | 88 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 176.8 | -77.8 | 163.9 | 0 | 0 | 0 | 113.1 | L1420 S1422 S1428 | L1420-L1424 WeakPolarHBondContact O-CD1 3.25Å; L1420-L1424 WeakPolarHBondContact O-CG 3.27Å; L1420-L1424 PolarHBondContact O-N 2.87Å; L1420-L1424 VanDerWaalsContact O-N 3.1Å; S1422-L1424 PolarHBondContact O-N 3.46Å; L1424-S1428 VanDerWaalsContact O-CB 3.28Å; L1424-S1428 WeakPolarHBondContact O-CB 3.22Å; L1424-S1428 PolarHBondContact O-N 2.9Å |
| 1425 | I | 41.4 | Very low | 40.9 | Very low | 108 Ų | 108 | 85.8 Ų | 85.8 | 55% | 0.554 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.3 | -37 | 177.3 | -68.6 | 164.6 | 0 | 0 | 0 | 111.7 | L1421 S1422 G1423 S1429 | L1421-I1425 HydrophobicContact CG-CD1 4.49Å; L1421-I1425 WeakPolarHBondContact O-CD1 3.35Å; L1421-I1425 VanDerWaalsContact O-CG1 3.31Å; L1421-I1425 WeakPolarHBondContact O-CG1 3.49Å; L1421-I1425 PolarHBondContact O-N 3.07Å; S1422-I1425 PolarHBondContact O-N 3.39Å; G1423-I1425 VanDerWaalsContact C-N 3.33Å; G1423-I1425 PolarHBondContact O-N 3.07Å; I1425-S1429 PolarHBondContact O-N 3.24Å; I1425-S1429 PolarHBondContact O-OG 3Å |
| 1426 | V | 41 | Very low | 40.8 | Very low | 74 Ų | 74 | 86.7 Ų | 86.7 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | S1422 G1423 S1428 S1429 C1430 | S1422-V1426 WeakPolarHBondContact O-CG2 3.17Å; S1422-V1426 PolarHBondContact O-N 3.37Å; G1423-V1426 PolarHBondContact O-N 3.32Å; V1426-S1428 PolarHBondContact O-N 3.39Å; V1426-S1429 WeakPolarHBondContact CA-OG 3.44Å; V1426-S1429 PolarHBondContact O-N 2.98Å; V1426-S1429 PolarHBondContact O-OG 2.94Å; V1426-S1429 VanDerWaalsContact O-OG 3.05Å; V1426-C1430 PolarHBondContact O-N 2.73Å; V1426-C1430 VanDerWaalsContact O-N 3.08Å; V1426-C1430 PolarHBondContact O-SG 3.39Å; V1426-C1430 VanDerWaalsContact O-SG 3.4Å |
| 1427 | L | 41.7 | Very low | 40.9 | Very low | 68 Ų | 68 | 89.5 Ų | 89.5 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.6 | -87.6 | 157.9 | 0 | 0 | 0 | 112.3 | G1423 S1429 C1430 L1431 | G1423-L1427 PolarHBondContact O-N 3.39Å; L1427-S1429 VanDerWaalsContact C-N 3.26Å; L1427-S1429 PolarHBondContact O-N 2.9Å; L1427-C1430 PolarHBondContact O-N 2.97Å; L1427-L1431 PolarHBondContact O-N 3.43Å; L1427-L1431 VanDerWaalsContact O-N 3.11Å |
| 1428 | S | 41 | Very low | 40.9 | Very low | 70 Ų | 70 | 86.7 Ų | 86.7 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.4 | -34.5 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 113.4 | L1424 V1426 N1432 | L1424-S1428 VanDerWaalsContact O-CB 3.28Å; L1424-S1428 WeakPolarHBondContact O-CB 3.22Å; L1424-S1428 PolarHBondContact O-N 2.9Å; V1426-S1428 PolarHBondContact O-N 3.39Å; S1428-N1432 PolarHBondContact O-ND2 2.84Å; S1428-N1432 VanDerWaalsContact O-ND2 3.16Å |
| 1429 | S | 42.9 | Very low | 40.5 | Very low | 64 Ų | 64 | 88.3 Ų | 88.3 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -83.5 | -33.5 | -179.2 | 38.2 | 0 | 0 | 0 | 0 | 113.3 | I1425 V1426 L1427 | I1425-S1429 PolarHBondContact O-N 3.24Å; I1425-S1429 PolarHBondContact O-OG 3Å; V1426-S1429 WeakPolarHBondContact CA-OG 3.44Å; V1426-S1429 PolarHBondContact O-N 2.98Å; V1426-S1429 PolarHBondContact O-OG 2.94Å; V1426-S1429 VanDerWaalsContact O-OG 3.05Å; L1427-S1429 VanDerWaalsContact C-N 3.26Å; L1427-S1429 PolarHBondContact O-N 2.9Å |
| 1430 | C | 43.3 | Very low | 40.2 | Very low | 44 Ų | 44 | 86.2 Ų | 86.2 | 30% | 0.297 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 173.3 | -65.6 | 0 | 0 | 0 | 0 | 113 | V1426 L1427 N1432 V1433 | V1426-C1430 PolarHBondContact O-N 2.73Å; V1426-C1430 VanDerWaalsContact O-N 3.08Å; V1426-C1430 PolarHBondContact O-SG 3.39Å; V1426-C1430 VanDerWaalsContact O-SG 3.4Å; L1427-C1430 PolarHBondContact O-N 2.97Å; C1430-N1432 VanDerWaalsContact C-N 3.28Å; C1430-N1432 PolarHBondContact O-N 3.03Å; C1430-V1433 PolarHBondContact O-N 3.17Å |
| 1431 | L | 43.7 | Very low | 39.8 | Very low | 88 Ų | 88 | 88.3 Ų | 88.3 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -32 | 178.5 | -88 | 159.2 | 0 | 0 | 0 | 113.5 | L1427 V1433 L1435 | L1427-L1431 PolarHBondContact O-N 3.43Å; L1427-L1431 VanDerWaalsContact O-N 3.11Å; L1431-V1433 VanDerWaalsContact C-N 3.26Å; L1431-V1433 PolarHBondContact O-N 3.1Å; L1431-L1435 HydrophobicContact CD2-CD1 4.26Å |
| 1432 | N | 40.1 | Very low | 39.3 | Very low | 124 Ų | 124 | 92.7 Ų | 92.7 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.8 | -15 | 178.9 | -72.6 | -34.9 | 0 | 0 | 0 | 114.3 | S1428 C1430 | S1428-N1432 PolarHBondContact O-ND2 2.84Å; S1428-N1432 VanDerWaalsContact O-ND2 3.16Å; C1430-N1432 VanDerWaalsContact C-N 3.28Å; C1430-N1432 PolarHBondContact O-N 3.03Å |
| 1433 | V | 43.6 | Very low | 38.6 | Very low | 88 Ų | 88 | 99.3 Ų | 99.3 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -100.6 | -27.5 | -176.2 | -179 | 0 | 0 | 0 | 0 | 112.3 | C1430 L1431 P1436 | C1430-V1433 PolarHBondContact O-N 3.17Å; L1431-V1433 VanDerWaalsContact C-N 3.26Å; L1431-V1433 PolarHBondContact O-N 3.1Å; V1433-P1436 WeakPolarHBondContact O-CD 3.41Å |
| 1434 | I | 43 | Very low | 38 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 42% | 0.421 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -90.3 | -25.6 | -172.8 | -62.9 | 168.5 | 0 | 0 | 0 | 112.2 | P1436 | I1434-P1436 VanDerWaalsContact C-CD 3.49Å |
| 1435 | L | 38.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -62.9 | -33.6 | -177.7 | -110.9 | 68.5 | 0 | 0 | 0 | 116.7 | L1431 C1437 | L1431-L1435 HydrophobicContact CD2-CD1 4.26Å; L1435-C1437 VanDerWaalsContact C-N 3.29Å; L1435-C1437 PolarHBondContact O-N 2.78Å |
| 1436 | P | 37 | Very low | 36.3 | Very low | 102 Ų | 102 | 108.6 Ų | 108.6 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -71.7 | -9.1 | -175.1 | -22.6 | 35 | 0 | 0 | 0 | 116.8 | V1433 I1434 | V1433-P1436 WeakPolarHBondContact O-CD 3.41Å; I1434-P1436 VanDerWaalsContact C-CD 3.49Å |
| 1437 | C | 39.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 69% | 0.689 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -102.7 | 15.1 | -166.4 | -60.4 | 0 | 0 | 0 | 0 | 115 | L1435 | L1435-C1437 VanDerWaalsContact C-N 3.29Å; L1435-C1437 PolarHBondContact O-N 2.78Å |
| 1438 | I | 36.5 | Very low | 34.7 | Very low | 55 Ų | 55 | 114.6 Ų | 114.6 | 28% | 0.282 | 65% | 0.649 | S | S | . | * | trans | -137.8 | 59.8 | -165.2 | -40.8 | 178.8 | 0 | 0 | 0 | 111.7 | V1490 L1493 | I1438-V1490 HydrophobicContact CG2-CG2 4.24Å; I1438-L1493 HydrophobicContact CD1-CD1 4.08Å; I1438-L1493 HydrophobicContact CD1-CD2 3.74Å | ||
| 1439 | D | 33.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 78% | 0.781 | 67% | 0.669 | S | S | * | * | trans | -109.8 | 113.7 | -177.3 | -161.7 | -4.8 | 0 | 0 | 0 | 111.5 | ||||
| 1440 | P | 31.8 | Very low | 33.5 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | trans | -106 | 0.9 | -171.8 | 39 | -34.2 | 0 | 0 | 0 | 116.3 | ||||
| 1441 | D | 31.5 | Very low | 33 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | -102.9 | 38.3 | -163.8 | -82.3 | -31.8 | 0 | 0 | 0 | 116.3 | ||||
| 1442 | Q | 30.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 91% | 0.907 | 72% | 0.722 | S | S | * | * | trans | -92.9 | 135.1 | 162.7 | -69.4 | -146.6 | 4.4 | 0 | 0 | 112.8 | ||||
| 1443 | K | 27 | Very low | 32.8 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -73.3 | 166.6 | -167.6 | -70.4 | 172.1 | 179.9 | 166.3 | 0 | 113.7 | ||||
| 1444 | E | 28.3 | Very low | 33.1 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -37.8 | 150.2 | 175.5 | -57.8 | 174.1 | 140.3 | 0 | 0 | 115.8 | ||
| 1445 | S | 22.4 | Very low | 33 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 95.2 | 104.6 | 166.6 | 76.2 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1446 | S | 25.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | 70.9 | 166.4 | 157.2 | 76.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1447 | C | 23.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | 89.4 | 105.1 | 170.1 | -134.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1448 | D | 26.4 | Very low | 34.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | -64.4 | 127 | 153.6 | -50 | -89.5 | 0 | 0 | 0 | 110.5 | ||||
| 1449 | Q | 29.8 | Very low | 35.2 | Very low | 197 Ų | 197 | 136.5 Ų | 136.5 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | trans | -173.1 | 151 | 135.7 | -103.4 | 157.4 | 34.7 | 0 | 0 | 111.6 | ||||
| 1450 | K | 29.5 | Very low | 36.3 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 73% | 0.726 | 70% | 0.702 | S | S | * | * | trans | -91.7 | 144.1 | -176.2 | -58 | 170.9 | 166.7 | -163.2 | 0 | 110.7 | D1452 | K1450-D1452 IonicContact NZ-OD2 3.51Š| ||
| 1451 | D | 31.1 | Very low | 37.2 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 93% | 0.925 | 69% | 0.688 | S | S | * | * | trans | -125.5 | 96.1 | 150.4 | -83.3 | -44.3 | 0 | 0 | 0 | 108.5 | ||||
| 1452 | D | 35.4 | Very low | 38.1 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 141.3 | 177.1 | -73.4 | -45.6 | 0 | 0 | 0 | 110.3 | K1450 S1454 | K1450-D1452 IonicContact NZ-OD2 3.51Å; D1452-S1454 PolarHBondContact O-N 2.81Å |
| 1453 | I | 44.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 57% | 0.569 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 129 | 175.1 | -63.9 | 172.5 | 0 | 0 | 0 | 109.7 | Q1457 I1458 | I1453-Q1457 HydrophobicContact CG2-CB 4.15Å; I1453-I1458 HydrophobicContact CG2-CD1 4.45Å; I1453-I1458 HydrophobicContact CG2-CG1 4.01Å |
| 1454 | S | 50 | Low | 40.3 | Very low | 51 Ų | 51 | 117.5 Ų | 117.5 | 36% | 0.357 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -72 | 146 | -170 | 85.1 | 0 | 0 | 0 | 0 | 112.5 | D1452 E1456 Q1457 I1458 | D1452-S1454 PolarHBondContact O-N 2.81Å; S1454-E1456 PolarHBondContact O-N 3.21Å; S1454-E1456 VanDerWaalsContact O-N 3.15Å; S1454-Q1457 WeakPolarHBondContact O-CB 3.21Å; S1454-Q1457 PolarHBondContact O-N 3Å; S1454-Q1457 WeakPolarHBondContact OG-CG 3.43Å; S1454-I1458 PolarHBondContact O-N 3.43Å |
| 1455 | F | 41.8 | Very low | 41.5 | Very low | 161 Ų | 161 | 109.9 Ų | 109.9 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.1 | -31.3 | -177.9 | -167.4 | -110.9 | 0 | 0 | 0 | 112.8 | I1458 I1459 | F1455-I1458 PolarHBondContact O-N 3.25Å; F1455-I1459 HydrophobicContact CD1-CD1 3.62Å; F1455-I1459 HydrophobicContact CD1-CG1 4.46Å; F1455-I1459 HydrophobicContact CE1-CD1 3.56Å; F1455-I1459 HydrophobicContact CE1-CG1 4.4Å; F1455-I1459 HydrophobicContact CG-CD1 4.47Å; F1455-I1459 HydrophobicContact CZ-CD1 4.35Å; F1455-I1459 WeakPolarHBondContact O-CG1 3.38Å; F1455-I1459 PolarHBondContact O-N 2.97Å |
| 1456 | E | 48 | Very low | 42.8 | Very low | 157 Ų | 157 | 110.2 Ų | 110.2 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.5 | -39 | 173.1 | -68.8 | -166.7 | 140.2 | 0 | 0 | 113 | S1454 I1458 I1459 W1460 | S1454-E1456 PolarHBondContact O-N 3.21Å; S1454-E1456 VanDerWaalsContact O-N 3.15Å; E1456-I1458 VanDerWaalsContact C-N 3.32Å; E1456-I1458 PolarHBondContact O-N 3.1Å; E1456-I1459 PolarHBondContact O-N 3.4Å; E1456-W1460 WeakPolarHBondContact O-CB 3.4Å; E1456-W1460 PolarHBondContact O-N 2.99Å |
| 1457 | Q | 50.5 | Low | 43.7 | Very low | 111 Ų | 111 | 114.5 Ų | 114.5 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.9 | -36.5 | 177.9 | -68.1 | 166.6 | -16 | 0 | 0 | 111.1 | I1453 S1454 W1460 L1461 | I1453-Q1457 HydrophobicContact CG2-CB 4.15Å; S1454-Q1457 WeakPolarHBondContact O-CB 3.21Å; S1454-Q1457 PolarHBondContact O-N 3Å; S1454-Q1457 WeakPolarHBondContact OG-CG 3.43Å; Q1457-W1460 PolarHBondContact O-N 3.11Å; Q1457-L1461 PolarHBondContact O-N 3.48Å |
| 1458 | I | 50.1 | Low | 44.7 | Very low | 65 Ų | 65 | 111.1 Ų | 111.1 | 33% | 0.333 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 174 | -59.7 | 174.3 | 0 | 0 | 0 | 110.9 | I1453 S1454 F1455 E1456 W1460 L1461 A1462 | I1453-I1458 HydrophobicContact CG2-CD1 4.45Å; I1453-I1458 HydrophobicContact CG2-CG1 4.01Å; S1454-I1458 PolarHBondContact O-N 3.43Å; F1455-I1458 PolarHBondContact O-N 3.25Å; E1456-I1458 VanDerWaalsContact C-N 3.32Å; E1456-I1458 PolarHBondContact O-N 3.1Å; I1458-W1460 VanDerWaalsContact C-N 3.31Å; I1458-W1460 PolarHBondContact O-N 3.32Å; I1458-L1461 PolarHBondContact O-N 2.73Å; I1458-A1462 WeakPolarHBondContact O-CB 3.3Å; I1458-A1462 PolarHBondContact O-N 3.08Å |
| 1459 | I | 49.7 | Very low | 45.3 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -36.8 | 174.1 | -72.9 | 168.4 | 0 | 0 | 0 | 111.8 | F1455 E1456 A1462 S1463 | F1455-I1459 HydrophobicContact CD1-CD1 3.62Å; F1455-I1459 HydrophobicContact CD1-CG1 4.46Å; F1455-I1459 HydrophobicContact CE1-CD1 3.56Å; F1455-I1459 HydrophobicContact CE1-CG1 4.4Å; F1455-I1459 HydrophobicContact CG-CD1 4.47Å; F1455-I1459 HydrophobicContact CZ-CD1 4.35Å; F1455-I1459 WeakPolarHBondContact O-CG1 3.38Å; F1455-I1459 PolarHBondContact O-N 2.97Å; E1456-I1459 PolarHBondContact O-N 3.4Å; I1459-A1462 PolarHBondContact O-N 3.39Å; I1459-S1463 WeakPolarHBondContact O-CB 3.5Å; I1459-S1463 PolarHBondContact O-N 3.41Å; I1459-S1463 PolarHBondContact O-OG 3.12Å |
| 1460 | W | 56.5 | Low | 45.7 | Very low | 160 Ų | 160 | 104 Ų | 104 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69 | -44.5 | 178.4 | -163.2 | 82.9 | 0 | 0 | 0 | 111.8 | E1456 Q1457 I1458 S1463 L1464 | E1456-W1460 WeakPolarHBondContact O-CB 3.4Å; E1456-W1460 PolarHBondContact O-N 2.99Å; Q1457-W1460 PolarHBondContact O-N 3.11Å; I1458-W1460 VanDerWaalsContact C-N 3.31Å; I1458-W1460 PolarHBondContact O-N 3.32Å; W1460-S1463 WeakPolarHBondContact O-CB 3.31Å; W1460-S1463 PolarHBondContact O-N 2.85Å; W1460-L1464 HydrophobicContact CH2-CD1 4.4Å; W1460-L1464 HydrophobicContact CZ3-CD1 4.49Å; W1460-L1464 PolarHBondContact O-N 2.8Å |
| 1461 | L | 49.7 | Very low | 46.6 | Very low | 63 Ų | 63 | 101.5 Ų | 101.5 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 171.6 | -80.5 | 161.3 | 0 | 0 | 0 | 112 | Q1457 I1458 S1463 L1464 V1465 L1481 | Q1457-L1461 PolarHBondContact O-N 3.48Å; I1458-L1461 PolarHBondContact O-N 2.73Å; L1461-S1463 VanDerWaalsContact C-N 3.34Å; L1461-S1463 PolarHBondContact O-N 3.18Å; L1461-L1464 WeakPolarHBondContact O-CB 3.43Å; L1461-L1464 PolarHBondContact O-N 3.24Å; L1461-V1465 PolarHBondContact O-N 2.81Å; L1461-V1465 VanDerWaalsContact O-N 3.16Å; L1461-L1481 HydrophobicContact CB-CD1 4.33Å |
| 1462 | A | 50.7 | Low | 46.9 | Very low | 30 Ų | 30 | 96.8 Ų | 96.8 | 25% | 0.248 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1458 I1459 L1464 V1465 I1466 L1481 | I1458-A1462 WeakPolarHBondContact O-CB 3.3Å; I1458-A1462 PolarHBondContact O-N 3.08Å; I1459-A1462 PolarHBondContact O-N 3.39Å; A1462-L1464 VanDerWaalsContact C-N 3.28Å; A1462-L1464 PolarHBondContact O-N 3.29Å; A1462-V1465 PolarHBondContact O-N 2.87Å; A1462-I1466 WeakPolarHBondContact O-CD1 3.16Å; A1462-I1466 VanDerWaalsContact O-CG1 3.28Å; A1462-I1466 WeakPolarHBondContact O-CG1 3.43Å; A1462-I1466 PolarHBondContact O-N 3.36Å; A1462-I1466 VanDerWaalsContact O-N 3.08Å; A1462-L1481 HydrophobicContact CB-CD2 3.84Å |
| 1463 | S | 50.9 | Low | 47.3 | Very low | 53 Ų | 53 | 97.5 Ų | 97.5 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -31.6 | 175.8 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | I1459 W1460 L1461 R1467 | I1459-S1463 WeakPolarHBondContact O-CB 3.5Å; I1459-S1463 PolarHBondContact O-N 3.41Å; I1459-S1463 PolarHBondContact O-OG 3.12Å; W1460-S1463 WeakPolarHBondContact O-CB 3.31Å; W1460-S1463 PolarHBondContact O-N 2.85Å; L1461-S1463 VanDerWaalsContact C-N 3.34Å; L1461-S1463 PolarHBondContact O-N 3.18Å; S1463-R1467 WeakPolarHBondContact O-CG 3.38Å |
| 1464 | L | 52.3 | Low | 47.6 | Very low | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.366 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -44.9 | 176.2 | -139.7 | 92.2 | 0 | 0 | 0 | 111.2 | W1460 L1461 A1462 I1466 R1467 | W1460-L1464 HydrophobicContact CH2-CD1 4.4Å; W1460-L1464 HydrophobicContact CZ3-CD1 4.49Å; W1460-L1464 PolarHBondContact O-N 2.8Å; L1461-L1464 WeakPolarHBondContact O-CB 3.43Å; L1461-L1464 PolarHBondContact O-N 3.24Å; A1462-L1464 VanDerWaalsContact C-N 3.28Å; A1462-L1464 PolarHBondContact O-N 3.29Å; L1464-I1466 VanDerWaalsContact C-N 3.35Å; L1464-I1466 PolarHBondContact O-N 3.25Å; L1464-R1467 PolarHBondContact O-N 3.42Å |
| 1465 | V | 53.3 | Low | 47.2 | Very low | 25 Ų | 25 | 104.5 Ų | 104.5 | 15% | 0.152 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 178.8 | 167.8 | 0 | 0 | 0 | 0 | 112.2 | L1461 A1462 R1467 L1468 L1481 | L1461-V1465 PolarHBondContact O-N 2.81Å; L1461-V1465 VanDerWaalsContact O-N 3.16Å; A1462-V1465 PolarHBondContact O-N 2.87Å; V1465-R1467 PolarHBondContact O-N 2.85Å; V1465-L1468 PolarHBondContact O-N 2.97Å; V1465-L1481 HydrophobicContact CB-CD1 4.1Å; V1465-L1481 HydrophobicContact CG2-CD1 3.51Å |
| 1466 | I | 51.4 | Low | 47.2 | Very low | 117 Ų | 117 | 100.3 Ų | 100.3 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -28.8 | 177.2 | -70.1 | 164.4 | 0 | 0 | 0 | 112.2 | A1462 L1464 L1468 | A1462-I1466 WeakPolarHBondContact O-CD1 3.16Å; A1462-I1466 VanDerWaalsContact O-CG1 3.28Å; A1462-I1466 WeakPolarHBondContact O-CG1 3.43Å; A1462-I1466 PolarHBondContact O-N 3.36Å; A1462-I1466 VanDerWaalsContact O-N 3.08Å; L1464-I1466 VanDerWaalsContact C-N 3.35Å; L1464-I1466 PolarHBondContact O-N 3.25Å; I1466-L1468 VanDerWaalsContact C-N 3.33Å; I1466-L1468 PolarHBondContact O-N 2.85Å |
| 1467 | R | 43.4 | Very low | 47 | Very low | 213 Ų | 213 | 93.2 Ų | 93.2 | 80% | 0.804 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.6 | -178.9 | -71.5 | 179.2 | -176.7 | -168.6 | 2.5 | 114.8 | S1463 L1464 V1465 | S1463-R1467 WeakPolarHBondContact O-CG 3.38Å; L1464-R1467 PolarHBondContact O-N 3.42Å; V1465-R1467 PolarHBondContact O-N 2.85Å |
| 1468 | L | 44.2 | Very low | 47.1 | Very low | 48 Ų | 48 | 90.5 Ų | 90.5 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | trans | -72.9 | 130.4 | -179.6 | -69 | 163.7 | 0 | 0 | 0 | 111.5 | V1465 I1466 R1474 | V1465-L1468 PolarHBondContact O-N 2.97Å; I1466-L1468 VanDerWaalsContact C-N 3.33Å; I1466-L1468 PolarHBondContact O-N 2.85Å; L1468-R1474 PolarHBondContact O-NE 3.14Å; L1468-R1474 VanDerWaalsContact O-NE 3.13Å; L1468-R1474 PolarHBondContact O-NH2 2.97Å | ||
| 1469 | P | 37.9 | Very low | 46.8 | Very low | 124 Ų | 124 | 93.8 Ų | 93.8 | 81% | 0.805 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -77.5 | -24.6 | -172.4 | 29.3 | -35.3 | 0 | 0 | 0 | 114.1 | ||
| 1470 | N | 39.8 | Very low | 46.5 | Very low | 73 Ų | 73 | 92.3 Ų | 92.3 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -99.7 | 135.9 | -176.2 | -164.6 | -44.9 | 0 | 0 | 0 | 111.3 | V1472 Y1473 R1474 | N1470-V1472 PolarHBondContact O-N 2.94Å; N1470-V1472 PolarHBondContact OD1-N 3.15Å; N1470-Y1473 HydrophobicContact CB-CD2 3.52Å; N1470-Y1473 HydrophobicContact CB-CE2 3.99Å; N1470-Y1473 HydrophobicContact CB-CG 4.31Å; N1470-Y1473 PolarHBondContact O-N 3.01Å; N1470-R1474 PolarHBondContact O-N 2.69Å |
| 1471 | I | 47.7 | Very low | 46.2 | Very low | 114 Ų | 114 | 86.7 Ų | 86.7 | 59% | 0.585 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.5 | -26.5 | -178.5 | -154.6 | 164.4 | 0 | 0 | 0 | 112.7 | R1475 | I1471-R1475 WeakPolarHBondContact O-CB 3.41Å; I1471-R1475 WeakPolarHBondContact O-CG 3.47Å; I1471-R1475 PolarHBondContact O-N 3.04Å |
| 1472 | V | 37.6 | Very low | 46.2 | Very low | 75 Ų | 75 | 86 Ų | 86 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.1 | -53.8 | 174 | -178.5 | 0 | 0 | 0 | 0 | 110 | N1470 R1474 R1475 V1476 | N1470-V1472 PolarHBondContact O-N 2.94Å; N1470-V1472 PolarHBondContact OD1-N 3.15Å; V1472-R1474 VanDerWaalsContact C-N 3.27Å; V1472-R1474 PolarHBondContact O-N 2.68Å; V1472-R1475 PolarHBondContact O-N 2.95Å; V1472-V1476 HydrophobicContact CG1-CG2 4.44Å; V1472-V1476 WeakPolarHBondContact O-CB 3.39Å; V1472-V1476 WeakPolarHBondContact O-CG2 3.04Å; V1472-V1476 PolarHBondContact O-N 2.75Å |
| 1473 | Y | 43.2 | Very low | 45.8 | Very low | 139 Ų | 139 | 88.2 Ų | 88.2 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -32 | 177.3 | -57.9 | -45.5 | 0 | 0 | 0 | 112.7 | N1470 G1477 | N1470-Y1473 HydrophobicContact CB-CD2 3.52Å; N1470-Y1473 HydrophobicContact CB-CE2 3.99Å; N1470-Y1473 HydrophobicContact CB-CG 4.31Å; N1470-Y1473 PolarHBondContact O-N 3.01Å; Y1473-G1477 PolarHBondContact O-N 3.43Å |
| 1474 | R | 50.2 | Low | 45.5 | Very low | 123 Ų | 123 | 90.8 Ų | 90.8 | 46% | 0.464 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 175.3 | -153.5 | 179 | -67.8 | -177.6 | -0.9 | 112.2 | L1468 N1470 V1472 A1478 | L1468-R1474 PolarHBondContact O-NE 3.14Å; L1468-R1474 VanDerWaalsContact O-NE 3.13Å; L1468-R1474 PolarHBondContact O-NH2 2.97Å; N1470-R1474 PolarHBondContact O-N 2.69Å; V1472-R1474 VanDerWaalsContact C-N 3.27Å; V1472-R1474 PolarHBondContact O-N 2.68Å; R1474-A1478 VanDerWaalsContact O-CB 3.22Å; R1474-A1478 WeakPolarHBondContact O-CB 3.21Å; R1474-A1478 PolarHBondContact O-N 2.93Å |
| 1475 | R | 41.6 | Very low | 45.1 | Very low | 186 Ų | 186 | 92 Ų | 92 | 70% | 0.702 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.5 | -44.4 | 171.9 | -79.2 | 179.3 | 175.5 | 178.2 | -0.3 | 112.4 | I1471 V1472 A1478 R1479 | I1471-R1475 WeakPolarHBondContact O-CB 3.41Å; I1471-R1475 WeakPolarHBondContact O-CG 3.47Å; I1471-R1475 PolarHBondContact O-N 3.04Å; V1472-R1475 PolarHBondContact O-N 2.95Å; R1475-A1478 PolarHBondContact O-N 2.6Å; R1475-R1479 WeakPolarHBondContact O-CB 3.36Å; R1475-R1479 PolarHBondContact O-N 3.49Å |
| 1476 | V | 41.6 | Very low | 44.4 | Very low | 73 Ų | 73 | 97 Ų | 97 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | V1472 A1478 R1479 L1480 | V1472-V1476 HydrophobicContact CG1-CG2 4.44Å; V1472-V1476 WeakPolarHBondContact O-CB 3.39Å; V1472-V1476 WeakPolarHBondContact O-CG2 3.04Å; V1472-V1476 PolarHBondContact O-N 2.75Å; V1476-A1478 PolarHBondContact O-N 2.66Å; V1476-R1479 WeakPolarHBondContact O-CB 3.31Å; V1476-R1479 PolarHBondContact O-N 2.94Å; V1476-L1480 HydrophobicContact CG1-CD1 3.97Å; V1476-L1480 WeakPolarHBondContact O-CB 3.44Å; V1476-L1480 PolarHBondContact O-N 3.31Å |
| 1477 | G | 45.7 | Very low | 43.4 | Very low | 8 Ų | 8 | 99 Ų | 99 | 8% | 0.082 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1473 L1481 | Y1473-G1477 PolarHBondContact O-N 3.43Å; G1477-L1481 PolarHBondContact O-N 3.28Å |
| 1478 | A | 51.6 | Low | 42.8 | Very low | 55 Ų | 55 | 98.3 Ų | 98.3 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70 | -33.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1474 R1475 V1476 A1482 | R1474-A1478 VanDerWaalsContact O-CB 3.22Å; R1474-A1478 WeakPolarHBondContact O-CB 3.21Å; R1474-A1478 PolarHBondContact O-N 2.93Å; R1475-A1478 PolarHBondContact O-N 2.6Å; V1476-A1478 PolarHBondContact O-N 2.66Å; A1478-A1482 WeakPolarHBondContact O-CB 3.12Å; A1478-A1482 PolarHBondContact O-N 2.88Å |
| 1479 | R | 44.3 | Very low | 42.4 | Very low | 134 Ų | 134 | 99.8 Ų | 99.8 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -50.2 | 172.6 | -158 | 77.1 | 173.5 | -133.9 | -9.7 | 110.5 | R1475 V1476 L1481 A1482 D1483 | R1475-R1479 WeakPolarHBondContact O-CB 3.36Å; R1475-R1479 PolarHBondContact O-N 3.49Å; V1476-R1479 WeakPolarHBondContact O-CB 3.31Å; V1476-R1479 PolarHBondContact O-N 2.94Å; R1479-L1481 VanDerWaalsContact C-N 3.32Å; R1479-L1481 PolarHBondContact O-N 2.87Å; R1479-A1482 WeakPolarHBondContact O-CB 3.41Å; R1479-A1482 PolarHBondContact O-N 2.96Å; R1479-D1483 WeakPolarHBondContact O-CB 3.1Å; R1479-D1483 VanDerWaalsContact O-CG 3.22Å; R1479-D1483 PolarHBondContact O-N 3.49Å |
| 1480 | L | 42.6 | Very low | 42.2 | Very low | 56 Ų | 56 | 96.9 Ų | 96.9 | 29% | 0.293 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.2 | -43 | 172.3 | -91.8 | 150.7 | 0 | 0 | 0 | 112.8 | V1476 L1484 L1496 | V1476-L1480 HydrophobicContact CG1-CD1 3.97Å; V1476-L1480 WeakPolarHBondContact O-CB 3.44Å; V1476-L1480 PolarHBondContact O-N 3.31Å; L1480-L1484 VanDerWaalsContact O-CB 3.31Å; L1480-L1484 WeakPolarHBondContact O-CB 3.15Å; L1480-L1484 WeakPolarHBondContact O-CD1 3.39Å; L1480-L1484 WeakPolarHBondContact O-CG 3.29Å; L1480-L1484 PolarHBondContact O-N 3.29Å; L1480-L1496 HydrophobicContact CD2-CD2 3.93Å; L1480-L1496 HydrophobicContact CG-CD2 4.48Å |
| 1481 | L | 51.3 | Low | 41.9 | Very low | 41 Ų | 41 | 101.6 Ų | 101.6 | 22% | 0.215 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -68.2 | -33.5 | 176 | -114.5 | 111.9 | 0 | 0 | 0 | 113.2 | L1461 A1462 V1465 G1477 R1479 T1485 | L1461-L1481 HydrophobicContact CB-CD1 4.33Å; A1462-L1481 HydrophobicContact CB-CD2 3.84Å; V1465-L1481 HydrophobicContact CB-CD1 4.1Å; V1465-L1481 HydrophobicContact CG2-CD1 3.51Å; G1477-L1481 PolarHBondContact O-N 3.28Å; R1479-L1481 VanDerWaalsContact C-N 3.32Å; R1479-L1481 PolarHBondContact O-N 2.87Å; L1481-T1485 WeakPolarHBondContact O-CG2 3.13Å |
| 1482 | A | 48 | Very low | 41 | Very low | 48 Ų | 48 | 98.7 Ų | 98.7 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | A1478 R1479 L1484 T1485 | A1478-A1482 WeakPolarHBondContact O-CB 3.12Å; A1478-A1482 PolarHBondContact O-N 2.88Å; R1479-A1482 WeakPolarHBondContact O-CB 3.41Å; R1479-A1482 PolarHBondContact O-N 2.96Å; A1482-L1484 VanDerWaalsContact C-N 3.29Å; A1482-L1484 PolarHBondContact O-N 3.15Å; A1482-T1485 PolarHBondContact O-N 3.28Å; A1482-T1485 VanDerWaalsContact O-N 3.11Å; A1482-T1485 PolarHBondContact O-OG1 3.11Å |
| 1483 | D | 43.9 | Very low | 40.8 | Very low | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -24 | -176.3 | -59.9 | -27.8 | 0 | 0 | 0 | 112.3 | R1479 T1485 | R1479-D1483 WeakPolarHBondContact O-CB 3.1Å; R1479-D1483 VanDerWaalsContact O-CG 3.22Å; R1479-D1483 PolarHBondContact O-N 3.49Å; D1483-T1485 PolarHBondContact O-N 3.47Å |
| 1484 | L | 44.3 | Very low | 40.3 | Very low | 107 Ų | 107 | 93.2 Ų | 93.2 | 56% | 0.56 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -12.9 | 171.2 | -81.4 | 167 | 0 | 0 | 0 | 114.4 | L1480 A1482 | L1480-L1484 VanDerWaalsContact O-CB 3.31Å; L1480-L1484 WeakPolarHBondContact O-CB 3.15Å; L1480-L1484 WeakPolarHBondContact O-CD1 3.39Å; L1480-L1484 WeakPolarHBondContact O-CG 3.29Å; L1480-L1484 PolarHBondContact O-N 3.29Å; A1482-L1484 VanDerWaalsContact C-N 3.29Å; A1482-L1484 PolarHBondContact O-N 3.15Å |
| 1485 | T | 43.6 | Very low | 39.4 | Very low | 95 Ų | 95 | 89.9 Ų | 89.9 | 58% | 0.583 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -5.6 | -176.1 | 61.7 | 0 | 0 | 0 | 0 | 114.9 | L1481 A1482 D1483 | L1481-T1485 WeakPolarHBondContact O-CG2 3.13Å; A1482-T1485 PolarHBondContact O-N 3.28Å; A1482-T1485 VanDerWaalsContact O-N 3.11Å; A1482-T1485 PolarHBondContact O-OG1 3.11Å; D1483-T1485 PolarHBondContact O-N 3.47Å |
| 1486 | L | 38.4 | Very low | 38.8 | Very low | 131 Ų | 131 | 83.1 Ų | 83.1 | 69% | 0.686 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -134.1 | 84.9 | -168.2 | -72.2 | 165.5 | 0 | 0 | 0 | 113.3 | ||
| 1487 | L | 31 | Very low | 38.4 | Very low | 158 Ų | 158 | 83.1 Ų | 83.1 | 83% | 0.827 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 67.4 | 122.4 | 156.8 | -67.7 | 152.3 | 0 | 0 | 0 | 119.3 | ||
| 1488 | R | 31.3 | Very low | 37.7 | Very low | 200 Ų | 200 | 82.9 Ų | 82.9 | 76% | 0.755 | 43% | 0.429 | S | S | * | . | trans | 63.9 | 84.2 | 168.3 | -69.5 | -170.9 | 174.5 | -178 | 0.1 | 117.7 | V1490 T1492 | R1488-V1490 PolarHBondContact O-N 3.28Å; R1488-T1492 PolarHBondContact O-OG1 2.79Å | ||
| 1489 | P | 35.6 | Very low | 36.7 | Very low | 78 Ų | 78 | 82.9 Ų | 82.9 | 51% | 0.506 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.5 | -21.6 | -175.2 | 26.8 | -35.2 | 0 | 0 | 0 | 116.3 | L1493 | P1489-L1493 HydrophobicContact CB-CD1 4.13Å; P1489-L1493 WeakPolarHBondContact O-CB 3.46Å; P1489-L1493 VanDerWaalsContact O-CD1 3.24Å; P1489-L1493 WeakPolarHBondContact O-CD1 3.16Å; P1489-L1493 PolarHBondContact O-N 3.02Å |
| 1490 | V | 32.9 | Very low | 35.9 | Very low | 64 Ų | 64 | 79.2 Ų | 79.2 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.6 | -43 | -168.2 | -177.6 | 0 | 0 | 0 | 0 | 113.7 | I1438 R1488 N1494 | I1438-V1490 HydrophobicContact CG2-CG2 4.24Å; R1488-V1490 PolarHBondContact O-N 3.28Å; V1490-N1494 VanDerWaalsContact O-CG 3.23Å; V1490-N1494 PolarHBondContact O-N 3.08Å; V1490-N1494 PolarHBondContact O-ND2 3.26Å |
| 1491 | Y | 34 | Very low | 35.3 | Very low | 172 Ų | 172 | 80.1 Ų | 80.1 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.3 | -44.6 | 174.8 | -82.6 | -95.4 | 0 | 0 | 0 | 110.3 | L1493 N1494 I1495 | Y1491-L1493 PolarHBondContact O-N 2.92Å; Y1491-N1494 PolarHBondContact O-N 3.05Å; Y1491-I1495 WeakPolarHBondContact O-CG1 3.14Å; Y1491-I1495 PolarHBondContact O-N 3.34Å |
| 1492 | T | 29.2 | Very low | 34.4 | Very low | 53 Ų | 53 | 83.3 Ų | 83.3 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 179.5 | -43 | 0 | 0 | 0 | 0 | 111.2 | R1488 I1495 L1496 | R1488-T1492 PolarHBondContact O-OG1 2.79Å; T1492-I1495 PolarHBondContact O-N 3.38Å; T1492-L1496 HydrophobicContact CG2-CD1 3.4Å; T1492-L1496 VanDerWaalsContact CG2-CD1 3.4Å; T1492-L1496 VanDerWaalsContact O-CB 3.27Å; T1492-L1496 WeakPolarHBondContact O-CB 3.44Å; T1492-L1496 VanDerWaalsContact O-CD1 3.23Å; T1492-L1496 WeakPolarHBondContact O-CD1 3.42Å; T1492-L1496 PolarHBondContact O-N 3.09Å |
| 1493 | L | 32.3 | Very low | 33.4 | Very low | 51 Ų | 51 | 84.6 Ų | 84.6 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.7 | -30.9 | 171.2 | -94.6 | 100.8 | 0 | 0 | 0 | 114.4 | I1438 P1489 Y1491 I1495 L1497 | I1438-L1493 HydrophobicContact CD1-CD1 4.08Å; I1438-L1493 HydrophobicContact CD1-CD2 3.74Å; P1489-L1493 HydrophobicContact CB-CD1 4.13Å; P1489-L1493 WeakPolarHBondContact O-CB 3.46Å; P1489-L1493 VanDerWaalsContact O-CD1 3.24Å; P1489-L1493 WeakPolarHBondContact O-CD1 3.16Å; P1489-L1493 PolarHBondContact O-N 3.02Å; Y1491-L1493 PolarHBondContact O-N 2.92Å; L1493-I1495 PolarHBondContact O-N 2.72Å; L1493-L1497 WeakPolarHBondContact O-CB 3.49Å; L1493-L1497 PolarHBondContact O-N 2.99Å |
| 1494 | N | 32.2 | Very low | 32.7 | Very low | 47 Ų | 47 | 83 Ų | 83 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.5 | -20.4 | 177.2 | -75.3 | -6.4 | 0 | 0 | 0 | 112.7 | K1377 V1490 Y1491 P1498 | K1377-N1494 WeakPolarHBondContact CE-OD1 3.47Å; K1377-N1494 PolarHBondContact NZ-OD1 3.12Å; V1490-N1494 VanDerWaalsContact O-CG 3.23Å; V1490-N1494 PolarHBondContact O-N 3.08Å; V1490-N1494 PolarHBondContact O-ND2 3.26Å; Y1491-N1494 PolarHBondContact O-N 3.05Å; N1494-P1498 WeakPolarHBondContact O-CD 3.1Å; N1494-P1498 WeakPolarHBondContact O-CG 3.17Å |
| 1495 | I | 32.3 | Very low | 31.8 | Very low | 54 Ų | 54 | 80.7 Ų | 80.7 | 28% | 0.277 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -96.4 | -44.1 | 176.7 | -65.6 | 165.3 | 0 | 0 | 0 | 110.5 | Y1491 T1492 L1493 L1497 P1498 L1499 D1552 | Y1491-I1495 WeakPolarHBondContact O-CG1 3.14Å; Y1491-I1495 PolarHBondContact O-N 3.34Å; T1492-I1495 PolarHBondContact O-N 3.38Å; L1493-I1495 PolarHBondContact O-N 2.72Å; I1495-L1497 PolarHBondContact O-N 3.22Å; I1495-P1498 VanDerWaalsContact O-CD 3.25Å; I1495-P1498 WeakPolarHBondContact O-CD 3.47Å; I1495-P1498 VanDerWaalsContact O-CG 3.32Å; I1495-P1498 WeakPolarHBondContact O-CG 3.33Å; I1495-L1499 HydrophobicContact CG2-CD1 3.75Å; I1495-L1499 WeakPolarHBondContact O-CD1 3.41Å; I1495-L1499 VanDerWaalsContact O-CG 3.32Å; I1495-L1499 WeakPolarHBondContact O-CG 3.18Å; I1495-L1499 PolarHBondContact O-N 3.49Å; I1495-D1552 HydrophobicContact CG2-CB 4.46Å; I1495-D1552 WeakPolarHBondContact CG2-OD2 3.38Å |
| 1496 | L | 29.7 | Very low | 31 | Very low | 44 Ų | 44 | 80 Ų | 80 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.1 | -29.5 | 176.1 | -91.2 | 108.8 | 0 | 0 | 0 | 114 | L1480 T1492 L1499 L1500 | L1480-L1496 HydrophobicContact CD2-CD2 3.93Å; L1480-L1496 HydrophobicContact CG-CD2 4.48Å; T1492-L1496 HydrophobicContact CG2-CD1 3.4Å; T1492-L1496 VanDerWaalsContact CG2-CD1 3.4Å; T1492-L1496 VanDerWaalsContact O-CB 3.27Å; T1492-L1496 WeakPolarHBondContact O-CB 3.44Å; T1492-L1496 VanDerWaalsContact O-CD1 3.23Å; T1492-L1496 WeakPolarHBondContact O-CD1 3.42Å; T1492-L1496 PolarHBondContact O-N 3.09Å; L1496-L1499 PolarHBondContact O-N 3.44Å; L1496-L1500 HydrophobicContact CB-CD1 4.26Å; L1496-L1500 HydrophobicContact CD2-CD1 3.88Å; L1496-L1500 VanDerWaalsContact O-CB 3.32Å; L1496-L1500 WeakPolarHBondContact O-CB 3.45Å; L1496-L1500 VanDerWaalsContact O-CD1 3.3Å; L1496-L1500 WeakPolarHBondContact O-CD1 3.29Å; L1496-L1500 PolarHBondContact O-N 3.46Å |
| 1497 | L | 32.9 | Very low | 30.4 | Very low | 73 Ų | 73 | 80.5 Ų | 80.5 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 178.3 | -169.4 | 67.2 | 0 | 0 | 0 | 113 | L1493 I1495 L1500 L1501 | L1493-L1497 WeakPolarHBondContact O-CB 3.49Å; L1493-L1497 PolarHBondContact O-N 2.99Å; I1495-L1497 PolarHBondContact O-N 3.22Å; L1497-L1500 PolarHBondContact O-N 3.24Å; L1497-L1501 HydrophobicContact CG-CD1 4.27Å; L1497-L1501 WeakPolarHBondContact O-CB 3.45Å; L1497-L1501 WeakPolarHBondContact O-CD1 3.37Å; L1497-L1501 VanDerWaalsContact O-CG 3.29Å; L1497-L1501 WeakPolarHBondContact O-CG 3.49Å; L1497-L1501 PolarHBondContact O-N 2.97Å |
| 1498 | P | 30.9 | Very low | 30.2 | Very low | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.013 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.2 | -32.7 | 171.7 | 23.2 | -29.3 | 0 | 0 | 0 | 113 | Y1363 I1368 N1494 I1495 L1501 L1502 | Y1363-P1498 HydrophobicContact CD1-CB 4.24Å; Y1363-P1498 HydrophobicContact CD1-CG 4.33Å; Y1363-P1498 HydrophobicContact CE1-CB 3.89Å; Y1363-P1498 HydrophobicContact CE1-CG 3.68Å; I1368-P1498 HydrophobicContact CD1-CB 4.04Å; I1368-P1498 HydrophobicContact CD1-CG 3.86Å; N1494-P1498 WeakPolarHBondContact O-CD 3.1Å; N1494-P1498 WeakPolarHBondContact O-CG 3.17Å; I1495-P1498 VanDerWaalsContact O-CD 3.25Å; I1495-P1498 WeakPolarHBondContact O-CD 3.47Å; I1495-P1498 VanDerWaalsContact O-CG 3.32Å; I1495-P1498 WeakPolarHBondContact O-CG 3.33Å; P1498-L1501 PolarHBondContact O-N 3.29Å; P1498-L1502 WeakPolarHBondContact O-CB 3.49Å; P1498-L1502 WeakPolarHBondContact O-CG 3.46Å; P1498-L1502 PolarHBondContact O-N 3.31Å |
| 1499 | L | 29.2 | Very low | 30.1 | Very low | 56 Ų | 56 | 76.4 Ų | 76.4 | 29% | 0.293 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 172.8 | -70.8 | 167.1 | 0 | 0 | 0 | 112.5 | I1495 L1496 L1501 L1502 T1503 | I1495-L1499 HydrophobicContact CG2-CD1 3.75Å; I1495-L1499 WeakPolarHBondContact O-CD1 3.41Å; I1495-L1499 VanDerWaalsContact O-CG 3.32Å; I1495-L1499 WeakPolarHBondContact O-CG 3.18Å; I1495-L1499 PolarHBondContact O-N 3.49Å; L1496-L1499 PolarHBondContact O-N 3.44Å; L1499-L1501 VanDerWaalsContact C-N 3.28Å; L1499-L1501 PolarHBondContact O-N 3.29Å; L1499-L1502 PolarHBondContact O-N 3.33Å; L1499-T1503 WeakPolarHBondContact O-CG2 3.46Å; L1499-T1503 PolarHBondContact O-N 3.36Å; L1499-T1503 PolarHBondContact O-OG1 3.34Å |
| 1500 | L | 29 | Very low | 29.8 | Very low | 56 Ų | 56 | 76.5 Ų | 76.5 | 29% | 0.293 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.9 | -32.7 | 172.3 | -101.7 | 81.5 | 0 | 0 | 0 | 112.1 | L1496 L1497 T1503 S1504 | L1496-L1500 HydrophobicContact CB-CD1 4.26Å; L1496-L1500 HydrophobicContact CD2-CD1 3.88Å; L1496-L1500 VanDerWaalsContact O-CB 3.32Å; L1496-L1500 WeakPolarHBondContact O-CB 3.45Å; L1496-L1500 VanDerWaalsContact O-CD1 3.3Å; L1496-L1500 WeakPolarHBondContact O-CD1 3.29Å; L1496-L1500 PolarHBondContact O-N 3.46Å; L1497-L1500 PolarHBondContact O-N 3.24Å; L1500-T1503 WeakPolarHBondContact CA-OG1 3.48Å; L1500-T1503 PolarHBondContact O-OG1 3.34Å; L1500-S1504 WeakPolarHBondContact O-CB 3.47Å; L1500-S1504 PolarHBondContact O-N 3Å; L1500-S1504 PolarHBondContact O-OG 2.78Å |
| 1501 | L | 28.9 | Very low | 29.7 | Very low | 75 Ų | 75 | 77.7 Ų | 77.7 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -76.7 | -30.3 | 177 | -74.1 | 164.9 | 0 | 0 | 0 | 112.5 | S1366 L1497 P1498 L1499 | S1366-L1501 WeakPolarHBondContact O-CD1 3.3Å; L1497-L1501 HydrophobicContact CG-CD1 4.27Å; L1497-L1501 WeakPolarHBondContact O-CB 3.45Å; L1497-L1501 WeakPolarHBondContact O-CD1 3.37Å; L1497-L1501 VanDerWaalsContact O-CG 3.29Å; L1497-L1501 WeakPolarHBondContact O-CG 3.49Å; L1497-L1501 PolarHBondContact O-N 2.97Å; P1498-L1501 PolarHBondContact O-N 3.29Å; L1499-L1501 VanDerWaalsContact C-N 3.28Å; L1499-L1501 PolarHBondContact O-N 3.29Å |
| 1502 | L | 32.2 | Very low | 29.9 | Very low | 108 Ų | 108 | 74.7 Ų | 74.7 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -72.8 | -26.7 | 171.7 | -79.7 | 160.3 | 0 | 0 | 0 | 113.3 | P1498 L1499 | P1498-L1502 WeakPolarHBondContact O-CB 3.49Å; P1498-L1502 WeakPolarHBondContact O-CG 3.46Å; P1498-L1502 PolarHBondContact O-N 3.31Å; L1499-L1502 PolarHBondContact O-N 3.33Å |
| 1503 | T | 28.6 | Very low | 30.2 | Very low | 75 Ų | 75 | 73.5 Ų | 73.5 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -97 | -13 | -176.5 | 50.7 | 0 | 0 | 0 | 0 | 115.4 | L1499 L1500 E1556 | L1499-T1503 WeakPolarHBondContact O-CG2 3.46Å; L1499-T1503 PolarHBondContact O-N 3.36Å; L1499-T1503 PolarHBondContact O-OG1 3.34Å; L1500-T1503 WeakPolarHBondContact CA-OG1 3.48Å; L1500-T1503 PolarHBondContact O-OG1 3.34Å; T1503-E1556 WeakPolarHBondContact CG2-OE1 3.32Å |
| 1504 | S | 27.6 | Very low | 30.6 | Very low | 45 Ų | 45 | 72.8 Ų | 72.8 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -105 | -11.7 | -168.4 | 57.7 | 0 | 0 | 0 | 0 | 116.8 | L1500 | L1500-S1504 WeakPolarHBondContact O-CB 3.47Å; L1500-S1504 PolarHBondContact O-N 3Å; L1500-S1504 PolarHBondContact O-OG 2.78Å |
| 1505 | N | 25.7 | Very low | 31 | Very low | 57 Ų | 57 | 72.1 Ų | 72.1 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -138 | 128.2 | 176.5 | -76.4 | -74.2 | 0 | 0 | 0 | 111.8 | I1507 | N1505-I1507 HydrophobicContact CB-CD1 4.35Å; N1505-I1507 HydrophobicContact CB-CG1 4.12Å; N1505-I1507 PolarHBondContact O-N 3.39Å |
| 1506 | G | 27.3 | Very low | 31.5 | Very low | 80 Ų | 80 | 73.2 Ų | 73.2 | 83% | 0.825 | 42% | 0.417 | S | S | * | . | trans | -71.2 | 59.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1508 | G1506-F1508 PolarHBondContact O-N 2.73Š| ||
| 1507 | I | 26.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 73 Ų | 73 | 73% | 0.733 | 42% | 0.419 | S | S | * | . | trans | -78.2 | 110.1 | 177.7 | -60.4 | 177.3 | 0 | 0 | 0 | 108.1 | N1505 L1509 | N1505-I1507 HydrophobicContact CB-CD1 4.35Å; N1505-I1507 HydrophobicContact CB-CG1 4.12Å; N1505-I1507 PolarHBondContact O-N 3.39Å; I1507-L1509 PolarHBondContact O-N 2.75Å | ||
| 1508 | F | 26.6 | Very low | 32.6 | Very low | 190 Ų | 190 | 70.5 Ų | 70.5 | 83% | 0.833 | 41% | 0.407 | S | S | * | . | trans | -51.1 | 103.9 | 168.6 | -83.5 | -108.7 | 0 | 0 | 0 | 110.2 | G1506 P1510 | G1506-F1508 PolarHBondContact O-N 2.73Å; F1508-P1510 WeakPolarHBondContact O-CD 3.45Å | ||
| 1509 | L | 28.6 | Very low | 33.1 | Very low | 82 Ų | 82 | 70.6 Ų | 70.6 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | trans | -60.6 | 123.7 | 156.5 | -94.7 | 156.2 | 0 | 0 | 0 | 107.2 | L1362 I1507 T1511 | L1362-L1509 HydrophobicContact CD2-CD2 4.48Å; I1507-L1509 PolarHBondContact O-N 2.75Å; L1509-T1511 PolarHBondContact O-N 3.47Å | ||
| 1510 | P | 28.7 | Very low | 33.8 | Very low | 79 Ų | 79 | 68.1 Ų | 68.1 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -54.5 | 135.4 | 172 | -20.3 | 29.7 | 0 | 0 | 0 | 108.9 | F1508 D1512 S1513 | F1508-P1510 WeakPolarHBondContact O-CD 3.45Å; P1510-D1512 PolarHBondContact O-N 3.21Å; P1510-S1513 PolarHBondContact O-N 3.48Å; P1510-S1513 PolarHBondContact O-OG 3.32Å | ||
| 1511 | T | 32.5 | Very low | 34.6 | Very low | 89 Ų | 89 | 68 Ų | 68 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -46 | -36.3 | -175.7 | 38.8 | 0 | 0 | 0 | 0 | 113.1 | L1231 L1509 S1513 S1514 T1515 | L1231-T1511 HydrophobicContact CD2-CG2 4.2Å; L1509-T1511 PolarHBondContact O-N 3.47Å; T1511-S1513 VanDerWaalsContact C-N 3.33Å; T1511-S1513 PolarHBondContact O-N 3.49Å; T1511-S1514 PolarHBondContact O-OG 3.34Å; T1511-T1515 PolarHBondContact O-OG1 3.28Å |
| 1512 | D | 36.9 | Very low | 35.3 | Very low | 110 Ų | 110 | 66.4 Ų | 66.4 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65 | -30.7 | -177.3 | -51 | -3.7 | 0 | 0 | 0 | 113.5 | P1510 T1515 I1516 | P1510-D1512 PolarHBondContact O-N 3.21Å; D1512-T1515 VanDerWaalsContact C-OG1 3.24Å; D1512-T1515 WeakPolarHBondContact CA-OG1 3.11Å; D1512-T1515 PolarHBondContact O-OG1 3.17Å; D1512-I1516 VanDerWaalsContact O-CD1 3.31Å; D1512-I1516 WeakPolarHBondContact O-CD1 3.47Å; D1512-I1516 WeakPolarHBondContact O-CG1 3.42Å; D1512-I1516 PolarHBondContact O-N 3.09Å |
| 1513 | S | 36.8 | Very low | 36.1 | Very low | 27 Ų | 27 | 61.3 Ų | 61.3 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -75.4 | -40 | -170.2 | -26.9 | 0 | 0 | 0 | 0 | 112.6 | P1510 T1511 C1517 | P1510-S1513 PolarHBondContact O-N 3.48Å; P1510-S1513 PolarHBondContact O-OG 3.32Å; T1511-S1513 VanDerWaalsContact C-N 3.33Å; T1511-S1513 PolarHBondContact O-N 3.49Å; S1513-C1517 PolarHBondContact O-N 3.35Å |
| 1514 | S | 39.8 | Very low | 37.1 | Very low | 36 Ų | 36 | 59.7 Ų | 59.7 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.7 | -37.3 | 179.7 | 36.5 | 0 | 0 | 0 | 0 | 112.7 | T1511 I1516 C1517 V1518 | T1511-S1514 PolarHBondContact O-OG 3.34Å; S1514-I1516 VanDerWaalsContact C-N 3.31Å; S1514-I1516 PolarHBondContact O-N 2.86Å; S1514-C1517 PolarHBondContact O-N 3.39Å; S1514-V1518 PolarHBondContact O-N 3.04Å; S1514-V1518 VanDerWaalsContact O-N 3.09Å |
| 1515 | T | 41.4 | Very low | 38 | Very low | 34 Ų | 34 | 58.5 Ų | 58.5 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 171.4 | 26.3 | 0 | 0 | 0 | 0 | 112 | V1221 F1227 T1511 D1512 G1519 | V1221-T1515 HydrophobicContact CG1-CG2 4.44Å; F1227-T1515 HydrophobicContact CD1-CG2 4.15Å; F1227-T1515 HydrophobicContact CE1-CG2 3.34Å; F1227-T1515 HydrophobicContact CZ-CG2 3.77Å; T1511-T1515 PolarHBondContact O-OG1 3.28Å; D1512-T1515 VanDerWaalsContact C-OG1 3.24Å; D1512-T1515 WeakPolarHBondContact CA-OG1 3.11Å; D1512-T1515 PolarHBondContact O-OG1 3.17Å; T1515-G1519 PolarHBondContact O-N 3.4Å |
| 1516 | I | 42.1 | Very low | 39 | Very low | 76 Ų | 76 | 57.6 Ų | 57.6 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 176.3 | -71.1 | 164.3 | 0 | 0 | 0 | 110.4 | I1358 D1512 S1514 T1520 | I1358-I1516 HydrophobicContact CD1-CG2 4.4Å; D1512-I1516 VanDerWaalsContact O-CD1 3.31Å; D1512-I1516 WeakPolarHBondContact O-CD1 3.47Å; D1512-I1516 WeakPolarHBondContact O-CG1 3.42Å; D1512-I1516 PolarHBondContact O-N 3.09Å; S1514-I1516 VanDerWaalsContact C-N 3.31Å; S1514-I1516 PolarHBondContact O-N 2.86Å; I1516-T1520 WeakPolarHBondContact O-CB 3.45Å; I1516-T1520 PolarHBondContact O-N 2.98Å; I1516-T1520 PolarHBondContact O-OG1 2.76Å |
| 1517 | C | 41.3 | Very low | 40 | Very low | 39 Ų | 39 | 54.4 Ų | 54.4 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 179.6 | -74.4 | 0 | 0 | 0 | 0 | 113.2 | S1513 S1514 T1520 L1521 | S1513-C1517 PolarHBondContact O-N 3.35Å; S1514-C1517 PolarHBondContact O-N 3.39Å; C1517-T1520 PolarHBondContact O-N 2.65Å; C1517-L1521 WeakPolarHBondContact O-CG 3.1Å; C1517-L1521 PolarHBondContact O-N 3.04Å; C1517-L1521 VanDerWaalsContact O-N 3.12Å |
| 1518 | V | 43.4 | Very low | 41.1 | Very low | 22 Ų | 22 | 49.1 Ų | 49.1 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | S1514 T1520 L1521 E1522 | S1514-V1518 PolarHBondContact O-N 3.04Å; S1514-V1518 VanDerWaalsContact O-N 3.09Å; V1518-T1520 VanDerWaalsContact C-N 3.25Å; V1518-T1520 PolarHBondContact O-N 2.86Å; V1518-L1521 PolarHBondContact O-N 3.43Å; V1518-L1521 VanDerWaalsContact O-N 3.08Å; V1518-E1522 PolarHBondContact O-N 2.89Å |
| 1519 | G | 41.9 | Very low | 41.9 | Very low | 4 Ų | 4 | 41.9 Ų | 41.9 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -33.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1515 T1523 | T1515-G1519 PolarHBondContact O-N 3.4Å; G1519-T1523 VanDerWaalsContact O-CB 3.24Å; G1519-T1523 WeakPolarHBondContact O-CB 3.42Å; G1519-T1523 PolarHBondContact O-N 3.39Å; G1519-T1523 PolarHBondContact O-OG1 3.25Å |
| 1520 | T | 44.2 | Very low | 42.7 | Very low | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -39.1 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | L1350 F1351 P1355 I1516 C1517 V1518 F1524 | L1350-T1520 WeakPolarHBondContact O-CG2 3.49Å; F1351-T1520 HydrophobicContact CD1-CG2 3.78Å; P1355-T1520 HydrophobicContact CG-CG2 3.8Å; I1516-T1520 WeakPolarHBondContact O-CB 3.45Å; I1516-T1520 PolarHBondContact O-N 2.98Å; I1516-T1520 PolarHBondContact O-OG1 2.76Å; C1517-T1520 PolarHBondContact O-N 2.65Å; V1518-T1520 VanDerWaalsContact C-N 3.25Å; V1518-T1520 PolarHBondContact O-N 2.86Å; T1520-F1524 VanDerWaalsContact O-CB 3.29Å; T1520-F1524 WeakPolarHBondContact O-CB 3.46Å; T1520-F1524 PolarHBondContact O-N 2.97Å |
| 1521 | L | 46 | Very low | 43.5 | Very low | 52 Ų | 52 | 40.7 Ų | 40.7 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.6 | -41.4 | 177.1 | -70.6 | 169.2 | 0 | 0 | 0 | 111.9 | C1517 V1518 F1524 L1525 | C1517-L1521 WeakPolarHBondContact O-CG 3.1Å; C1517-L1521 PolarHBondContact O-N 3.04Å; C1517-L1521 VanDerWaalsContact O-N 3.12Å; V1518-L1521 PolarHBondContact O-N 3.43Å; V1518-L1521 VanDerWaalsContact O-N 3.08Å; L1521-F1524 WeakPolarHBondContact O-CB 3.46Å; L1521-F1524 PolarHBondContact O-N 3.19Å; L1521-L1525 WeakPolarHBondContact O-CG 3.41Å; L1521-L1525 PolarHBondContact O-N 3.4Å |
| 1522 | E | 44.2 | Very low | 44 | Very low | 43 Ų | 43 | 38.4 Ų | 38.4 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | 177 | -65.1 | -171 | 140.9 | 0 | 0 | 112.9 | V1518 F1524 L1525 T1526 R1569 | V1518-E1522 PolarHBondContact O-N 2.89Å; E1522-F1524 VanDerWaalsContact C-N 3.3Å; E1522-F1524 PolarHBondContact O-N 2.8Å; E1522-L1525 PolarHBondContact O-N 3.17Å; E1522-T1526 PolarHBondContact O-N 3.35Å; E1522-T1526 PolarHBondContact O-OG1 3.46Å; E1522-R1569 IonicContact OE1-CZ 3.74Å; E1522-R1569 IonicContact OE1-NH1 3.1Å; E1522-R1569 PolarHBondContact OE1-NH1 3.5Å |
| 1523 | T | 47.3 | Very low | 44 | Very low | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -34 | 171.2 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | L1220 L1293 F1351 G1519 T1526 I1527 | L1220-T1523 HydrophobicContact CD1-CG2 3.62Å; L1220-T1523 WeakPolarHBondContact CD1-OG1 3.39Å; L1293-T1523 HydrophobicContact CD1-CG2 3.91Å; F1351-T1523 HydrophobicContact CE1-CG2 3.71Å; F1351-T1523 HydrophobicContact CZ-CG2 3.71Å; G1519-T1523 VanDerWaalsContact O-CB 3.24Å; G1519-T1523 WeakPolarHBondContact O-CB 3.42Å; G1519-T1523 PolarHBondContact O-N 3.39Å; G1519-T1523 PolarHBondContact O-OG1 3.25Å; T1523-T1526 WeakPolarHBondContact CA-OG1 3.31Å; T1523-T1526 PolarHBondContact O-OG1 3.5Å; T1523-I1527 HydrophobicContact CG2-CD1 4.12Å; T1523-I1527 VanDerWaalsContact O-CD1 3.32Å; T1523-I1527 WeakPolarHBondContact O-CD1 3.37Å; T1523-I1527 VanDerWaalsContact O-CG1 3.23Å; T1523-I1527 WeakPolarHBondContact O-CG1 3.2Å; T1523-I1527 PolarHBondContact O-N 3.16Å |
| 1524 | F | 50 | Low | 44 | Very low | 41 Ų | 41 | 42.5 Ų | 42.5 | 18% | 0.18 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -46.5 | 174.4 | 179.4 | -98.5 | 0 | 0 | 0 | 111.4 | F1351 T1520 L1521 E1522 I1527 V1528 V1545 | F1351-F1524 HydrophobicContact CD1-CB 4.03Å; F1351-F1524 HydrophobicContact CD1-CD2 4.36Å; F1351-F1524 HydrophobicContact CE1-CB 4.22Å; F1351-F1524 HydrophobicContact CG-CD2 4.48Å; T1520-F1524 VanDerWaalsContact O-CB 3.29Å; T1520-F1524 WeakPolarHBondContact O-CB 3.46Å; T1520-F1524 PolarHBondContact O-N 2.97Å; L1521-F1524 WeakPolarHBondContact O-CB 3.46Å; L1521-F1524 PolarHBondContact O-N 3.19Å; E1522-F1524 VanDerWaalsContact C-N 3.3Å; E1522-F1524 PolarHBondContact O-N 2.8Å; F1524-I1527 PolarHBondContact O-N 3.26Å; F1524-V1528 HydrophobicContact CD1-CG2 4.23Å; F1524-V1528 HydrophobicContact CE1-CG2 3.95Å; F1524-V1528 HydrophobicContact CE2-CG2 4.41Å; F1524-V1528 HydrophobicContact CZ-CG2 4.05Å; F1524-V1528 WeakPolarHBondContact O-CG2 3.36Å; F1524-V1528 PolarHBondContact O-N 3.35Å; F1524-V1545 HydrophobicContact CZ-CG2 4.4Å |
| 1525 | L | 47.1 | Very low | 43.8 | Very low | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 177.5 | -78.3 | 168.6 | 0 | 0 | 0 | 113.1 | L1521 E1522 I1527 V1528 D1529 R1569 C1570 S1573 | L1521-L1525 WeakPolarHBondContact O-CG 3.41Å; L1521-L1525 PolarHBondContact O-N 3.4Å; E1522-L1525 PolarHBondContact O-N 3.17Å; L1525-I1527 PolarHBondContact O-N 3.13Å; L1525-V1528 PolarHBondContact O-N 3.28Å; L1525-D1529 PolarHBondContact O-N 3.29Å; L1525-R1569 HydrophobicContact CD1-CB 3.69Å; L1525-C1570 HydrophobicContact CD2-CB 4.43Å; L1525-S1573 VanDerWaalsContact CD2-CB 3.46Å |
| 1526 | T | 46.1 | Very low | 43.5 | Very low | 38 Ų | 38 | 51 Ų | 51 | 23% | 0.233 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -25 | -179.6 | 40.6 | 0 | 0 | 0 | 0 | 113.8 | Y1290 E1522 T1523 | Y1290-T1526 HydrophobicContact CD2-CG2 3.83Å; Y1290-T1526 HydrophobicContact CE2-CG2 3.88Å; Y1290-T1526 WeakPolarHBondContact CE2-O 3.4Å; E1522-T1526 PolarHBondContact O-N 3.35Å; E1522-T1526 PolarHBondContact O-OG1 3.46Å; T1523-T1526 WeakPolarHBondContact CA-OG1 3.31Å; T1523-T1526 PolarHBondContact O-OG1 3.5Å |
| 1527 | I | 49.1 | Very low | 43.1 | Very low | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -79.8 | -47 | 173.7 | -71.5 | 171.6 | 0 | 0 | 0 | 110.5 | L1293 F1351 T1523 F1524 L1525 D1529 K1530 F1531 | L1293-I1527 HydrophobicContact CB-CD1 4.45Å; F1351-I1527 HydrophobicContact CE1-CD1 4.4Å; F1351-I1527 HydrophobicContact CE2-CD1 3.94Å; F1351-I1527 HydrophobicContact CZ-CD1 3.47Å; F1351-I1527 VanDerWaalsContact CZ-CD1 3.47Å; T1523-I1527 HydrophobicContact CG2-CD1 4.12Å; T1523-I1527 VanDerWaalsContact O-CD1 3.32Å; T1523-I1527 WeakPolarHBondContact O-CD1 3.37Å; T1523-I1527 VanDerWaalsContact O-CG1 3.23Å; T1523-I1527 WeakPolarHBondContact O-CG1 3.2Å; T1523-I1527 PolarHBondContact O-N 3.16Å; F1524-I1527 PolarHBondContact O-N 3.26Å; L1525-I1527 PolarHBondContact O-N 3.13Å; I1527-D1529 VanDerWaalsContact C-N 3.29Å; I1527-D1529 PolarHBondContact O-N 3.26Å; I1527-K1530 PolarHBondContact O-N 3.37Å; I1527-F1531 HydrophobicContact CG2-CD2 4.05Å; I1527-F1531 HydrophobicContact CG2-CE1 4.47Å; I1527-F1531 HydrophobicContact CG2-CE2 3.36Å; I1527-F1531 HydrophobicContact CG2-CZ 3.59Å; I1527-F1531 WeakPolarHBondContact O-CD2 3.43Å; I1527-F1531 PolarHBondContact O-N 2.89Å |
| 1528 | V | 48.8 | Very low | 42.9 | Very low | 31 Ų | 31 | 49.5 Ų | 49.5 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -39.7 | 179.1 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | F1524 L1525 K1530 F1531 S1532 P1574 | F1524-V1528 HydrophobicContact CD1-CG2 4.23Å; F1524-V1528 HydrophobicContact CE1-CG2 3.95Å; F1524-V1528 HydrophobicContact CE2-CG2 4.41Å; F1524-V1528 HydrophobicContact CZ-CG2 4.05Å; F1524-V1528 WeakPolarHBondContact O-CG2 3.36Å; F1524-V1528 PolarHBondContact O-N 3.35Å; L1525-V1528 PolarHBondContact O-N 3.28Å; V1528-K1530 PolarHBondContact O-N 2.97Å; V1528-K1530 VanDerWaalsContact O-N 3.15Å; V1528-F1531 PolarHBondContact O-N 2.69Å; V1528-S1532 PolarHBondContact O-N 3.25Å; V1528-P1574 HydrophobicContact CG1-CB 4.12Å |
| 1529 | D | 44.1 | Very low | 42.5 | Very low | 39 Ų | 39 | 50.6 Ų | 50.6 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -23.4 | -176.4 | -156.7 | 34.4 | 0 | 0 | 0 | 114 | L1525 I1527 S1532 | L1525-D1529 PolarHBondContact O-N 3.29Å; I1527-D1529 VanDerWaalsContact C-N 3.29Å; I1527-D1529 PolarHBondContact O-N 3.26Å; D1529-S1532 PolarHBondContact O-OG 3.42Å |
| 1530 | K | 44.5 | Very low | 42.2 | Very low | 84 Ų | 84 | 53.8 Ų | 53.8 | 37% | 0.365 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -94.2 | -21.4 | 173.1 | -91.5 | 174.9 | 173 | 158 | 0 | 114.8 | Y1290 S1294 I1527 V1528 S1532 | Y1290-K1530 VanDerWaalsContact CZ-NZ 3.35Å; Y1290-K1530 WeakPolarHBondContact OH-CE 3.43Å; Y1290-K1530 PolarHBondContact OH-NZ 3.08Å; S1294-K1530 WeakPolarHBondContact OG-CD 3.48Å; S1294-K1530 PolarHBondContact OG-NZ 3.04Å; I1527-K1530 PolarHBondContact O-N 3.37Å; V1528-K1530 PolarHBondContact O-N 2.97Å; V1528-K1530 VanDerWaalsContact O-N 3.15Å; K1530-S1532 VanDerWaalsContact C-N 3.3Å |
| 1531 | F | 46.1 | Very low | 41.9 | Very low | 52 Ų | 52 | 55 Ų | 55 | 23% | 0.228 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.7 | -25.6 | 178.6 | -79.4 | -140.6 | 0 | 0 | 0 | 111.5 | C1297 I1301 L1340 I1527 V1528 N1533 M1534 | C1297-F1531 HydrophobicContact CB-CE2 3.6Å; C1297-F1531 HydrophobicContact CB-CZ 3.6Å; I1301-F1531 HydrophobicContact CD1-CD1 4.03Å; I1301-F1531 HydrophobicContact CD1-CE1 3.24Å; I1301-F1531 HydrophobicContact CD1-CE2 4.21Å; I1301-F1531 HydrophobicContact CD1-CZ 3.37Å; L1340-F1531 HydrophobicContact CD1-CE1 4.31Å; I1527-F1531 HydrophobicContact CG2-CD2 4.05Å; I1527-F1531 HydrophobicContact CG2-CE1 4.47Å; I1527-F1531 HydrophobicContact CG2-CE2 3.36Å; I1527-F1531 HydrophobicContact CG2-CZ 3.59Å; I1527-F1531 WeakPolarHBondContact O-CD2 3.43Å; I1527-F1531 PolarHBondContact O-N 2.89Å; V1528-F1531 PolarHBondContact O-N 2.69Å; F1531-N1533 PolarHBondContact O-N 2.86Å; F1531-N1533 VanDerWaalsContact O-N 3.1Å; F1531-M1534 PolarHBondContact O-N 3.37Å; F1531-M1534 VanDerWaalsContact O-N 3.16Å |
| 1532 | S | 42.2 | Very low | 41.6 | Very low | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -33.2 | 174.2 | 61 | 0 | 0 | 0 | 0 | 114.4 | V1528 D1529 K1530 N1576 | V1528-S1532 PolarHBondContact O-N 3.25Å; D1529-S1532 PolarHBondContact O-OG 3.42Å; K1530-S1532 VanDerWaalsContact C-N 3.3Å; S1532-N1576 PolarHBondContact O-ND2 2.9Å |
| 1533 | N | 38.5 | Very low | 41.1 | Very low | 138 Ų | 138 | 59 Ų | 59 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5.7 | -174.3 | -73.5 | -35.8 | 0 | 0 | 0 | 115.1 | F1531 | F1531-N1533 PolarHBondContact O-N 2.86Å; F1531-N1533 VanDerWaalsContact O-N 3.1Å |
| 1534 | M | 36.5 | Very low | 40.6 | Very low | 84 Ų | 84 | 61.3 Ų | 61.3 | 41% | 0.414 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -44 | -169.5 | -80.9 | -78.5 | 157.3 | 0 | 0 | 114.7 | Y1298 F1531 | Y1298-M1534 HydrophobicContact CD2-CE 4.43Å; Y1298-M1534 HydrophobicContact CE2-CE 3.64Å; Y1298-M1534 HydrophobicContact CE2-SD 3.85Å; F1531-M1534 PolarHBondContact O-N 3.37Å; F1531-M1534 VanDerWaalsContact O-N 3.16Å |
| 1535 | H | 35.8 | Very low | 40 | Very low | 138 Ų | 138 | 61 Ų | 61 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | trans | -158.3 | 159.9 | 178.7 | -80 | -67 | 0 | 0 | 0 | 113.3 | S1537 | H1535-S1537 PolarHBondContact O-N 2.94Š| ||
| 1536 | N | 34.6 | Very low | 39.2 | Very low | 111 Ų | 111 | 62.3 Ų | 62.3 | 59% | 0.594 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 25.8 | 173.8 | -75.1 | -38.1 | 0 | 0 | 0 | 115.2 | Q1578 | N1536-Q1578 PolarHBondContact OD1-NE2 3.11Š|
| 1537 | S | 34.5 | Very low | 38.6 | Very low | 37 Ų | 37 | 64 Ų | 64 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -1.7 | -168 | -49.5 | 0 | 0 | 0 | 0 | 114.3 | H1535 S1539 | H1535-S1537 PolarHBondContact O-N 2.94Å; S1537-S1539 PolarHBondContact O-N 3.33Å |
| 1538 | S | 36.1 | Very low | 37.9 | Very low | 46 Ų | 46 | 66.7 Ų | 66.7 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71 | -22 | -168.8 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | Y1540 I1541 L1542 | S1538-Y1540 VanDerWaalsContact C-N 3.35Å; S1538-Y1540 PolarHBondContact O-N 3.28Å; S1538-I1541 PolarHBondContact O-N 2.85Å; S1538-L1542 PolarHBondContact O-N 3.16Å |
| 1539 | S | 35.9 | Very low | 37.4 | Very low | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | -177.9 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | S1537 Q1543 | S1537-S1539 PolarHBondContact O-N 3.33Å; S1539-Q1543 WeakPolarHBondContact O-CB 3.49Å; S1539-Q1543 VanDerWaalsContact O-CG 3.31Å; S1539-Q1543 WeakPolarHBondContact O-CG 3.3Å; S1539-Q1543 PolarHBondContact O-N 3.47Å; S1539-Q1543 VanDerWaalsContact O-N 3.1Å |
| 1540 | Y | 34.9 | Very low | 36.9 | Very low | 70 Ų | 70 | 72.5 Ų | 72.5 | 28% | 0.275 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79.7 | -25 | -177.9 | -81.2 | -88.6 | 0 | 0 | 0 | 114 | H1330 S1333 S1538 L1542 S1544 | H1330-Y1540 PolarHBondContact ND1-OH 3.47Å; S1333-Y1540 VanDerWaalsContact OG-CD2 3.27Å; S1333-Y1540 WeakPolarHBondContact OG-CD2 3.42Å; S1333-Y1540 VanDerWaalsContact OG-CE2 3.31Å; S1333-Y1540 WeakPolarHBondContact OG-CE2 3.47Å; S1538-Y1540 VanDerWaalsContact C-N 3.35Å; S1538-Y1540 PolarHBondContact O-N 3.28Å; Y1540-L1542 VanDerWaalsContact C-N 3.33Å; Y1540-S1544 PolarHBondContact O-N 3.11Å; Y1540-S1544 PolarHBondContact O-OG 3.37Å |
| 1541 | I | 38.8 | Very low | 36.5 | Very low | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.4 | -32.1 | 177.2 | -55.1 | -178.8 | 0 | 0 | 0 | 110.3 | L1337 S1538 S1544 | L1337-I1541 HydrophobicContact CD2-CG1 4.12Å; L1337-I1541 HydrophobicContact CG-CG1 4.32Å; S1538-I1541 PolarHBondContact O-N 2.85Å; I1541-S1544 PolarHBondContact O-OG 3.21Å |
| 1542 | L | 38.1 | Very low | 35.9 | Very low | 52 Ų | 52 | 76.5 Ų | 76.5 | 27% | 0.272 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -83.6 | -35.4 | 174.6 | -75.8 | 158.7 | 0 | 0 | 0 | 112.8 | S1538 Y1540 S1544 V1545 P1574 L1579 | S1538-L1542 PolarHBondContact O-N 3.16Å; Y1540-L1542 VanDerWaalsContact C-N 3.33Å; L1542-S1544 PolarHBondContact O-N 3.43Å; L1542-V1545 WeakPolarHBondContact O-CB 3.21Å; L1542-V1545 PolarHBondContact O-N 2.97Å; L1542-P1574 HydrophobicContact CD1-CB 4.11Å; L1542-P1574 HydrophobicContact CD1-CG 4.22Å; L1542-P1574 HydrophobicContact CD2-CG 4.34Å; L1542-L1579 HydrophobicContact CD1-CD1 3.6Å |
| 1543 | Q | 35.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 77.3 Ų | 77.3 | 59% | 0.593 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.1 | -14.9 | 173.9 | -78.3 | 178.2 | -5.6 | 0 | 0 | 114.6 | S1539 | S1539-Q1543 WeakPolarHBondContact O-CB 3.49Å; S1539-Q1543 VanDerWaalsContact O-CG 3.31Å; S1539-Q1543 WeakPolarHBondContact O-CG 3.3Å; S1539-Q1543 PolarHBondContact O-N 3.47Å; S1539-Q1543 VanDerWaalsContact O-N 3.1Å |
| 1544 | S | 35.8 | Very low | 34.9 | Very low | 51 Ų | 51 | 76.6 Ų | 76.6 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.8 | 177 | 45.7 | 0 | 0 | 0 | 0 | 113.9 | Y1540 I1541 L1542 | Y1540-S1544 PolarHBondContact O-N 3.11Å; Y1540-S1544 PolarHBondContact O-OG 3.37Å; I1541-S1544 PolarHBondContact O-OG 3.21Å; L1542-S1544 PolarHBondContact O-N 3.43Å |
| 1545 | V | 36.7 | Very low | 34.8 | Very low | 35 Ų | 35 | 75.1 Ų | 75.1 | 21% | 0.212 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -75.8 | 127.1 | 165.5 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | F1524 L1542 I1549 | F1524-V1545 HydrophobicContact CZ-CG2 4.4Å; L1542-V1545 WeakPolarHBondContact O-CB 3.21Å; L1542-V1545 PolarHBondContact O-N 2.97Å; V1545-I1549 HydrophobicContact CG1-CD1 3.87Å |
| 1546 | P | 31.8 | Very low | 34.6 | Very low | 46 Ų | 46 | 72.9 Ų | 72.9 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | trans | -59.8 | 138.5 | -174 | -25.7 | 34.2 | 0 | 0 | 0 | 113.2 | V1356 V1548 I1549 | V1356-P1546 HydrophobicContact CG2-CG 4.44Å; P1546-V1548 HydrophobicContact CB-CB 4.27Å; P1546-V1548 HydrophobicContact CB-CG2 4.34Å; P1546-V1548 PolarHBondContact O-N 2.97Å; P1546-I1549 PolarHBondContact O-N 3.01Å | ||
| 1547 | P | 32.5 | Very low | 34.4 | Very low | 74 Ų | 74 | 73.2 Ų | 73.2 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -59.2 | -16.7 | 173.9 | 23.6 | -33.1 | 0 | 0 | 0 | 113.4 | I1549 L1550 E1551 | P1547-I1549 PolarHBondContact O-N 3.45Å; P1547-I1549 VanDerWaalsContact O-N 3.14Å; P1547-L1550 WeakPolarHBondContact O-CA 3.35Å; P1547-L1550 WeakPolarHBondContact O-CB 3.26Å; P1547-L1550 PolarHBondContact O-N 3.27Å; P1547-E1551 PolarHBondContact O-N 3.24Å |
| 1548 | V | 35.2 | Very low | 34.1 | Very low | 70 Ų | 70 | 78.3 Ų | 78.3 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.1 | 171.3 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | P1546 | P1546-V1548 HydrophobicContact CB-CB 4.27Å; P1546-V1548 HydrophobicContact CB-CG2 4.34Å; P1546-V1548 PolarHBondContact O-N 2.97Å |
| 1549 | I | 37.2 | Very low | 33.9 | Very low | 91 Ų | 91 | 79.8 Ų | 79.8 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -84.6 | -20 | 173.6 | -65 | 171.1 | 0 | 0 | 0 | 111.6 | V1545 P1546 P1547 | V1545-I1549 HydrophobicContact CG1-CD1 3.87Å; P1546-I1549 PolarHBondContact O-N 3.01Å; P1547-I1549 PolarHBondContact O-N 3.45Å; P1547-I1549 VanDerWaalsContact O-N 3.14Å |
| 1550 | L | 35 | Very low | 33.7 | Very low | 100 Ų | 100 | 83.5 Ų | 83.5 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -18.2 | -169.5 | -76.8 | 160.7 | 0 | 0 | 0 | 114.8 | P1547 F1571 | P1547-L1550 WeakPolarHBondContact O-CA 3.35Å; P1547-L1550 WeakPolarHBondContact O-CB 3.26Å; P1547-L1550 PolarHBondContact O-N 3.27Å; L1550-F1571 HydrophobicContact CD2-CE2 4.09Å |
| 1551 | E | 34.2 | Very low | 33.8 | Very low | 138 Ų | 138 | 84.2 Ų | 84.2 | 65% | 0.645 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -105.9 | -22.1 | -160.8 | -71.2 | 179.5 | 166 | 0 | 0 | 117.2 | P1547 | P1547-E1551 PolarHBondContact O-N 3.24Š|
| 1552 | D | 34.9 | Very low | 33.7 | Very low | 83 Ų | 83 | 85.1 Ų | 85.1 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -145.7 | 0.3 | -172.2 | -95.5 | -56.3 | 0 | 0 | 0 | 122.5 | I1495 L1554 | I1495-D1552 HydrophobicContact CG2-CB 4.46Å; I1495-D1552 WeakPolarHBondContact CG2-OD2 3.38Å; D1552-L1554 VanDerWaalsContact C-N 3.34Å; D1552-L1554 PolarHBondContact O-N 3.15Å |
| 1553 | P | 29.3 | Very low | 33.5 | Very low | 58 Ų | 58 | 84.7 Ų | 84.7 | 38% | 0.377 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -73.7 | -11.1 | -174.3 | -17 | 30.6 | 0 | 0 | 0 | 117.2 | A1555 M1567 | P1553-A1555 VanDerWaalsContact C-N 3.28Å; P1553-A1555 PolarHBondContact O-N 2.89Å; P1553-M1567 HydrophobicContact CB-CE 4.36Å |
| 1554 | L | 30.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 79.9 Ų | 79.9 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -82 | 4.6 | -167.9 | -71.9 | 167.9 | 0 | 0 | 0 | 114.9 | D1552 | D1552-L1554 VanDerWaalsContact C-N 3.34Å; D1552-L1554 PolarHBondContact O-N 3.15Å |
| 1555 | A | 33.7 | Very low | 33.5 | Very low | 53 Ų | 53 | 79 Ų | 79 | 44% | 0.438 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -100.4 | -11.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1553 | P1553-A1555 VanDerWaalsContact C-N 3.28Å; P1553-A1555 PolarHBondContact O-N 2.89Å |
| 1556 | E | 31.5 | Very low | 33.4 | Very low | 91 Ų | 91 | 77.5 Ų | 77.5 | 43% | 0.425 | 44% | 0.444 | S | S | . | . | trans | -108.8 | 113.5 | -172.2 | -65.3 | -147 | 145 | 0 | 0 | 114.1 | T1503 N1558 | T1503-E1556 WeakPolarHBondContact CG2-OE1 3.32Å; E1556-N1558 VanDerWaalsContact C-N 3.28Å; E1556-N1558 PolarHBondContact O-N 3.29Å | ||
| 1557 | P | 30.5 | Very low | 33.6 | Very low | 118 Ų | 118 | 78.1 Ų | 78.1 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.4 | -174.8 | -19.5 | 33.1 | 0 | 0 | 0 | 116.6 | ||
| 1558 | N | 29.3 | Very low | 33.8 | Very low | 144 Ų | 144 | 76.1 Ų | 76.1 | 77% | 0.77 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 8.3 | -152.8 | -74.7 | -8.7 | 0 | 0 | 0 | 116.5 | E1556 | E1556-N1558 VanDerWaalsContact C-N 3.28Å; E1556-N1558 PolarHBondContact O-N 3.29Å |
| 1559 | S | 30.4 | Very low | 33.9 | Very low | 77 Ų | 77 | 76.4 Ų | 76.4 | 54% | 0.538 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -131.4 | 123.5 | 178.7 | 74.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1560 | K | 33.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 73.8 Ų | 73.8 | 54% | 0.543 | 42% | 0.415 | S | S | . | . | trans | 37.8 | 92.8 | 167.6 | -64.2 | -175.4 | 178.9 | -178.2 | 0 | 116.9 | S1562 S1563 | K1560-S1562 PolarHBondContact O-N 2.7Å; K1560-S1562 VanDerWaalsContact O-N 3.15Å; K1560-S1563 WeakPolarHBondContact CB-OG 3.14Å; K1560-S1563 PolarHBondContact O-N 2.86Å; K1560-S1563 PolarHBondContact O-OG 3.24Å | ||
| 1561 | S | 35.6 | Very low | 34.1 | Very low | 84 Ų | 84 | 74.7 Ų | 74.7 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -54.9 | -28.2 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 115.5 | L1565 | S1561-L1565 PolarHBondContact O-N 3.38Å |
| 1562 | S | 36.3 | Very low | 34.3 | Very low | 49 Ų | 49 | 71.9 Ų | 71.9 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.5 | -37.8 | -178.3 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | K1560 L1564 L1565 S1566 | K1560-S1562 PolarHBondContact O-N 2.7Å; K1560-S1562 VanDerWaalsContact O-N 3.15Å; S1562-L1564 VanDerWaalsContact C-N 3.34Å; S1562-L1565 WeakPolarHBondContact O-CB 3.41Å; S1562-L1565 PolarHBondContact O-N 3.38Å; S1562-S1566 PolarHBondContact O-N 3.44Å; S1562-S1566 VanDerWaalsContact O-N 3.13Å |
| 1563 | S | 33.7 | Very low | 34.4 | Very low | 43 Ų | 43 | 69.6 Ų | 69.6 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 173.7 | 21.3 | 0 | 0 | 0 | 0 | 111.6 | K1560 S1566 M1567 | K1560-S1563 WeakPolarHBondContact CB-OG 3.14Å; K1560-S1563 PolarHBondContact O-N 2.86Å; K1560-S1563 PolarHBondContact O-OG 3.24Å; S1563-S1566 PolarHBondContact O-N 3.31Å; S1563-M1567 WeakPolarHBondContact O-CG 3.26Å; S1563-M1567 PolarHBondContact O-N 3.03Å |
| 1564 | L | 35.1 | Very low | 35 | Very low | 26 Ų | 26 | 68.2 Ų | 68.2 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 176.4 | -109.4 | 164 | 0 | 0 | 0 | 111.7 | S1562 S1566 M1567 C1568 V1600 | S1562-L1564 VanDerWaalsContact C-N 3.34Å; L1564-S1566 VanDerWaalsContact C-N 3.33Å; L1564-S1566 PolarHBondContact O-N 3.37Å; L1564-M1567 HydrophobicContact CD2-CE 4.2Å; L1564-M1567 HydrophobicContact CG-CE 4.01Å; L1564-M1567 PolarHBondContact O-N 2.97Å; L1564-C1568 PolarHBondContact O-N 3.23Å; L1564-C1568 PolarHBondContact O-SG 3.26Å; L1564-C1568 VanDerWaalsContact O-SG 3.4Å; L1564-V1600 HydrophobicContact CB-CG1 4.02Å; L1564-V1600 HydrophobicContact CB-CG2 3.95Å; L1564-V1600 HydrophobicContact CD1-CG2 3.96Å; L1564-V1600 HydrophobicContact CD2-CB 4.15Å; L1564-V1600 HydrophobicContact CD2-CG1 4.27Å; L1564-V1600 HydrophobicContact CD2-CG2 3.88Å; L1564-V1600 HydrophobicContact CG-CG2 4.12Å |
| 1565 | L | 36.6 | Very low | 35.5 | Very low | 33 Ų | 33 | 63.2 Ų | 63.2 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -52.6 | -50 | 172.3 | -136.9 | 86.7 | 0 | 0 | 0 | 111.9 | S1561 S1562 C1568 R1569 S1602 N1603 | S1561-L1565 PolarHBondContact O-N 3.38Å; S1562-L1565 WeakPolarHBondContact O-CB 3.41Å; S1562-L1565 PolarHBondContact O-N 3.38Å; L1565-C1568 PolarHBondContact O-N 3.26Å; L1565-R1569 WeakPolarHBondContact O-CG 3.3Å; L1565-R1569 PolarHBondContact O-N 3.4Å; L1565-S1602 WeakPolarHBondContact CD1-O 3.47Å; L1565-S1602 VanDerWaalsContact CD1-OG 3.26Å; L1565-S1602 WeakPolarHBondContact CD1-OG 3.02Å; L1565-S1602 WeakPolarHBondContact CG-O 3.16Å; L1565-N1603 HydrophobicContact CD1-CB 4.37Å; L1565-N1603 HydrophobicContact CD2-CB 4.25Å |
| 1566 | S | 35.2 | Very low | 35.5 | Very low | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | -178.2 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | S1562 S1563 L1564 R1569 C1570 | S1562-S1566 PolarHBondContact O-N 3.44Å; S1562-S1566 VanDerWaalsContact O-N 3.13Å; S1563-S1566 PolarHBondContact O-N 3.31Å; L1564-S1566 VanDerWaalsContact C-N 3.33Å; L1564-S1566 PolarHBondContact O-N 3.37Å; S1566-R1569 WeakPolarHBondContact O-CB 3.49Å; S1566-R1569 PolarHBondContact O-N 3.09Å; S1566-C1570 PolarHBondContact O-N 3.27Å; S1566-C1570 PolarHBondContact O-SG 3.11Å; S1566-C1570 VanDerWaalsContact O-SG 3.34Å |
| 1567 | M | 35.6 | Very low | 35.6 | Very low | 60 Ų | 60 | 66.6 Ų | 66.6 | 30% | 0.296 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -36 | 172.4 | -70.5 | -174.4 | -59.6 | 0 | 0 | 112.8 | P1553 S1563 L1564 C1570 F1571 | P1553-M1567 HydrophobicContact CB-CE 4.36Å; S1563-M1567 WeakPolarHBondContact O-CG 3.26Å; S1563-M1567 PolarHBondContact O-N 3.03Å; L1564-M1567 HydrophobicContact CD2-CE 4.2Å; L1564-M1567 HydrophobicContact CG-CE 4.01Å; L1564-M1567 PolarHBondContact O-N 2.97Å; M1567-C1570 VanDerWaalsContact O-CB 3.31Å; M1567-C1570 WeakPolarHBondContact O-CB 3.38Å; M1567-C1570 PolarHBondContact O-N 3.38Å; M1567-F1571 PolarHBondContact O-N 3.09Å; M1567-F1571 VanDerWaalsContact O-N 3.11Å |
| 1568 | C | 37 | Very low | 35.8 | Very low | 32 Ų | 32 | 65.9 Ų | 65.9 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.7 | -33.8 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | L1564 L1565 C1570 F1571 M1572 V1600 | L1564-C1568 PolarHBondContact O-N 3.23Å; L1564-C1568 PolarHBondContact O-SG 3.26Å; L1564-C1568 VanDerWaalsContact O-SG 3.4Å; L1565-C1568 PolarHBondContact O-N 3.26Å; C1568-C1570 VanDerWaalsContact C-N 3.29Å; C1568-C1570 PolarHBondContact O-N 3.07Å; C1568-F1571 PolarHBondContact O-N 2.94Å; C1568-M1572 VanDerWaalsContact O-CG 3.26Å; C1568-M1572 WeakPolarHBondContact O-CG 3.41Å; C1568-M1572 PolarHBondContact O-N 2.91Å; C1568-V1600 HydrophobicContact CB-CG1 4.04Å; C1568-V1600 WeakPolarHBondContact SG-CG1 3.29Å; C1568-V1600 PolarHBondContact SG-O 3.47Å |
| 1569 | R | 37.3 | Very low | 35.9 | Very low | 76 Ų | 76 | 61.2 Ų | 61.2 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 166.1 | -70.2 | 175 | 178.7 | -178.3 | -2.8 | 110.5 | E1522 L1525 L1565 S1566 F1571 M1572 S1573 N1603 S1604 | E1522-R1569 IonicContact OE1-CZ 3.74Å; E1522-R1569 IonicContact OE1-NH1 3.1Å; E1522-R1569 PolarHBondContact OE1-NH1 3.5Å; L1525-R1569 HydrophobicContact CD1-CB 3.69Å; L1565-R1569 WeakPolarHBondContact O-CG 3.3Å; L1565-R1569 PolarHBondContact O-N 3.4Å; S1566-R1569 WeakPolarHBondContact O-CB 3.49Å; S1566-R1569 PolarHBondContact O-N 3.09Å; R1569-F1571 VanDerWaalsContact C-N 3.3Å; R1569-F1571 PolarHBondContact O-N 2.8Å; R1569-M1572 PolarHBondContact O-N 3.47Å; R1569-S1573 PolarHBondContact O-N 3.32Å; R1569-N1603 PolarHBondContact NH2-O 3.15Å; R1569-S1604 PolarHBondContact NH2-OG 3.04Å; R1569-S1604 VanDerWaalsContact NH2-OG 3.14Å |
| 1570 | C | 36.1 | Very low | 36.3 | Very low | 36 Ų | 36 | 58.1 Ų | 58.1 | 24% | 0.243 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -33.2 | 174.8 | -70.5 | 0 | 0 | 0 | 0 | 114.3 | L1525 S1566 M1567 C1568 | L1525-C1570 HydrophobicContact CD2-CB 4.43Å; S1566-C1570 PolarHBondContact O-N 3.27Å; S1566-C1570 PolarHBondContact O-SG 3.11Å; S1566-C1570 VanDerWaalsContact O-SG 3.34Å; M1567-C1570 VanDerWaalsContact O-CB 3.31Å; M1567-C1570 WeakPolarHBondContact O-CB 3.38Å; M1567-C1570 PolarHBondContact O-N 3.38Å; C1568-C1570 VanDerWaalsContact C-N 3.29Å; C1568-C1570 PolarHBondContact O-N 3.07Å |
| 1571 | F | 39.2 | Very low | 36.5 | Very low | 119 Ų | 119 | 54.8 Ų | 54.8 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -78.6 | -25.5 | -179.3 | -140.6 | -85.4 | 0 | 0 | 0 | 113.4 | L1550 M1567 C1568 R1569 F1583 | L1550-F1571 HydrophobicContact CD2-CE2 4.09Å; M1567-F1571 PolarHBondContact O-N 3.09Å; M1567-F1571 VanDerWaalsContact O-N 3.11Å; C1568-F1571 PolarHBondContact O-N 2.94Å; R1569-F1571 VanDerWaalsContact C-N 3.3Å; R1569-F1571 PolarHBondContact O-N 2.8Å; F1571-F1583 HydrophobicContact CD1-CE2 4.33Å; F1571-F1583 HydrophobicContact CD1-CZ 4.45Å; F1571-F1583 AromaticContact CE1-CE2 3.98Å; F1571-F1583 HydrophobicContact CE1-CE2 3.98Å; F1571-F1583 HydrophobicContact CE1-CZ 4.2Å |
| 1572 | M | 38.4 | Very low | 36.5 | Very low | 79 Ų | 79 | 54.9 Ų | 54.9 | 39% | 0.389 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -98.5 | -21.5 | -171.5 | -64 | -101.2 | 72.5 | 0 | 0 | 114.4 | C1568 R1569 F1619 | C1568-M1572 VanDerWaalsContact O-CG 3.26Å; C1568-M1572 WeakPolarHBondContact O-CG 3.41Å; C1568-M1572 PolarHBondContact O-N 2.91Å; R1569-M1572 PolarHBondContact O-N 3.47Å; M1572-F1619 HydrophobicContact CE-CE1 3.65Å; M1572-F1619 HydrophobicContact CE-CZ 3.67Å; M1572-F1619 WeakPolarHBondContact O-CZ 3.41Å |
| 1573 | S | 38.7 | Very low | 36.6 | Very low | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -74.6 | -34.5 | -171.7 | -167.6 | 0 | 0 | 0 | 0 | 116.7 | L1525 R1569 | L1525-S1573 VanDerWaalsContact CD2-CB 3.46Å; R1569-S1573 PolarHBondContact O-N 3.32Å |
| 1574 | P | 40.6 | Very low | 36.9 | Very low | 30 Ų | 30 | 53.5 Ų | 53.5 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | trans | -110.3 | 50 | -169.2 | 40.2 | -32.5 | 0 | 0 | 0 | 114.5 | V1528 L1542 N1576 L1579 | V1528-P1574 HydrophobicContact CG1-CB 4.12Å; L1542-P1574 HydrophobicContact CD1-CB 4.11Å; L1542-P1574 HydrophobicContact CD1-CG 4.22Å; L1542-P1574 HydrophobicContact CD2-CG 4.34Å; P1574-N1576 PolarHBondContact O-N 3Å; P1574-L1579 WeakPolarHBondContact O-CD1 3.26Å | ||
| 1575 | V | 40.9 | Very low | 37.1 | Very low | 17 Ų | 17 | 54.9 Ų | 54.9 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | trans | -92.8 | 66.4 | 178.8 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | L1618 F1619 | V1575-L1618 VanDerWaalsContact O-CD2 3.23Å; V1575-L1618 WeakPolarHBondContact O-CD2 3.29Å; V1575-F1619 HydrophobicContact CB-CE1 4.49Å; V1575-F1619 HydrophobicContact CB-CZ 4.23Å; V1575-F1619 HydrophobicContact CG2-CE1 4.07Å; V1575-F1619 HydrophobicContact CG2-CZ 3.74Å | ||
| 1576 | N | 33.4 | Very low | 37.2 | Very low | 56 Ų | 56 | 60.4 Ų | 60.4 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | trans | -93.7 | 156.9 | 177.6 | -152.6 | -1.9 | 0 | 0 | 0 | 111.8 | S1532 P1574 Q1578 L1579 | S1532-N1576 PolarHBondContact O-ND2 2.9Å; P1574-N1576 PolarHBondContact O-N 3Å; N1576-Q1578 PolarHBondContact O-N 3.5Å; N1576-L1579 PolarHBondContact O-N 3.24Å | ||
| 1577 | E | 34.6 | Very low | 37.4 | Very low | 159 Ų | 159 | 62.6 Ų | 62.6 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 2.7 | -161.5 | -63.3 | -176.4 | 134.6 | 0 | 0 | 119.6 | K1667 | E1577-K1667 PolarHBondContact O-NZ 3.22Š|
| 1578 | Q | 33.9 | Very low | 37.3 | Very low | 102 Ų | 102 | 61.1 Ų | 61.1 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -16.8 | 177.6 | -53.8 | -163.6 | -4.8 | 0 | 0 | 114.2 | N1536 N1576 T1580 | N1536-Q1578 PolarHBondContact OD1-NE2 3.11Å; N1576-Q1578 PolarHBondContact O-N 3.5Å; Q1578-T1580 VanDerWaalsContact C-N 3.31Å |
| 1579 | L | 32.2 | Very low | 37 | Very low | 47 Ų | 47 | 65.4 Ų | 65.4 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -82.3 | -12 | 174.8 | -87.1 | 156.3 | 0 | 0 | 0 | 113.1 | L1542 P1574 N1576 S1581 D1582 F1583 | L1542-L1579 HydrophobicContact CD1-CD1 3.6Å; P1574-L1579 WeakPolarHBondContact O-CD1 3.26Å; N1576-L1579 PolarHBondContact O-N 3.24Å; L1579-S1581 VanDerWaalsContact C-N 3.29Å; L1579-S1581 PolarHBondContact O-N 3.4Å; L1579-D1582 PolarHBondContact O-N 3.21Å; L1579-D1582 VanDerWaalsContact O-N 3.14Å; L1579-F1583 WeakPolarHBondContact O-CB 3.45Å; L1579-F1583 PolarHBondContact O-N 3Å |
| 1580 | T | 38 | Very low | 36.7 | Very low | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.3 | -38 | -179.7 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | Q1578 D1582 F1583 E1584 Y1622 | Q1578-T1580 VanDerWaalsContact C-N 3.31Å; T1580-D1582 PolarHBondContact O-N 3.33Å; T1580-F1583 PolarHBondContact O-N 3.39Å; T1580-E1584 WeakPolarHBondContact O-CB 3.22Å; T1580-E1584 WeakPolarHBondContact O-CG 3.21Å; T1580-E1584 PolarHBondContact O-N 3.4Å; T1580-Y1622 WeakPolarHBondContact CG2-OH 3.35Å |
| 1581 | S | 37.5 | Very low | 36.5 | Very low | 55 Ų | 55 | 70.2 Ų | 70.2 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 114 | L1579 S1585 | L1579-S1581 VanDerWaalsContact C-N 3.29Å; L1579-S1581 PolarHBondContact O-N 3.4Å; S1581-S1585 PolarHBondContact O-N 2.98Å |
| 1582 | D | 35.8 | Very low | 36.1 | Very low | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -81.7 | -37.8 | 179.7 | -74.8 | 3.8 | 0 | 0 | 0 | 110.6 | L1579 T1580 E1584 S1585 K1586 | L1579-D1582 PolarHBondContact O-N 3.21Å; L1579-D1582 VanDerWaalsContact O-N 3.14Å; T1580-D1582 PolarHBondContact O-N 3.33Å; D1582-E1584 VanDerWaalsContact C-N 3.35Å; D1582-S1585 WeakPolarHBondContact O-CB 3.38Å; D1582-S1585 PolarHBondContact O-N 3.13Å; D1582-S1585 PolarHBondContact O-OG 3.31Å; D1582-K1586 PolarHBondContact O-N 2.92Å |
| 1583 | F | 39.8 | Very low | 35.7 | Very low | 59 Ų | 59 | 69.4 Ų | 69.4 | 26% | 0.259 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.9 | -144.6 | -101.6 | 0 | 0 | 0 | 110.3 | F1571 L1579 T1580 S1585 K1586 L1587 | F1571-F1583 HydrophobicContact CD1-CE2 4.33Å; F1571-F1583 HydrophobicContact CD1-CZ 4.45Å; F1571-F1583 AromaticContact CE1-CE2 3.98Å; F1571-F1583 HydrophobicContact CE1-CE2 3.98Å; F1571-F1583 HydrophobicContact CE1-CZ 4.2Å; L1579-F1583 WeakPolarHBondContact O-CB 3.45Å; L1579-F1583 PolarHBondContact O-N 3Å; T1580-F1583 PolarHBondContact O-N 3.39Å; F1583-S1585 PolarHBondContact O-N 3Å; F1583-K1586 PolarHBondContact O-N 2.75Å; F1583-K1586 VanDerWaalsContact O-N 3.13Å; F1583-L1587 HydrophobicContact CD1-CD1 3.97Å; F1583-L1587 HydrophobicContact CE1-CD1 3.66Å; F1583-L1587 HydrophobicContact CZ-CD1 4.39Å; F1583-L1587 WeakPolarHBondContact O-CB 3.19Å; F1583-L1587 PolarHBondContact O-N 3.34Å |
| 1584 | E | 39.1 | Very low | 35.4 | Very low | 5 Ų | 5 | 74.2 Ų | 74.2 | 2% | 0.023 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.9 | -10.5 | 174.3 | -69.3 | 169.1 | -156.8 | 0 | 0 | 113.7 | T1580 D1582 Y1622 M1668 K1669 F1672 | T1580-E1584 WeakPolarHBondContact O-CB 3.22Å; T1580-E1584 WeakPolarHBondContact O-CG 3.21Å; T1580-E1584 PolarHBondContact O-N 3.4Å; D1582-E1584 VanDerWaalsContact C-N 3.35Å; E1584-Y1622 PolarHBondContact OE1-OH 3.45Å; E1584-M1668 VanDerWaalsContact OE2-CA 3.3Å; E1584-M1668 WeakPolarHBondContact OE2-CA 3.19Å; E1584-K1669 HydrophobicContact CB-CD 4.12Å; E1584-K1669 HydrophobicContact CB-CG 4.3Å; E1584-K1669 WeakPolarHBondContact O-CE 3.31Å; E1584-K1669 PolarHBondContact O-NZ 3.36Å; E1584-K1669 PolarHBondContact OE2-N 3.11Å; E1584-F1672 HydrophobicContact CB-CD2 3.93Å; E1584-F1672 HydrophobicContact CB-CE2 3.61Å; E1584-F1672 HydrophobicContact CG-CD2 3.75Å; E1584-F1672 HydrophobicContact CG-CE2 3.81Å; E1584-F1672 WeakPolarHBondContact O-CE2 3.18Å |
| 1585 | S | 38.8 | Very low | 34.9 | Very low | 55 Ų | 55 | 75.6 Ų | 75.6 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -84.9 | -24.8 | 171.1 | 81.6 | 0 | 0 | 0 | 0 | 113.7 | S1581 D1582 F1583 | S1581-S1585 PolarHBondContact O-N 2.98Å; D1582-S1585 WeakPolarHBondContact O-CB 3.38Å; D1582-S1585 PolarHBondContact O-N 3.13Å; D1582-S1585 PolarHBondContact O-OG 3.31Å; F1583-S1585 PolarHBondContact O-N 3Å |
| 1586 | K | 38.5 | Very low | 34.4 | Very low | 148 Ų | 148 | 79.6 Ų | 79.6 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -111 | -28.1 | -173.4 | -65.6 | -175.8 | 178.6 | -174.2 | 0 | 114.2 | D1582 F1583 | D1582-K1586 PolarHBondContact O-N 2.92Å; F1583-K1586 PolarHBondContact O-N 2.75Å; F1583-K1586 VanDerWaalsContact O-N 3.13Å |
| 1587 | L | 39.5 | Very low | 34.3 | Very low | 48 Ų | 48 | 81.3 Ų | 81.3 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | -179.3 | -144.1 | 74.2 | 0 | 0 | 0 | 115.6 | F1583 L1591 F1672 | F1583-L1587 HydrophobicContact CD1-CD1 3.97Å; F1583-L1587 HydrophobicContact CE1-CD1 3.66Å; F1583-L1587 HydrophobicContact CZ-CD1 4.39Å; F1583-L1587 WeakPolarHBondContact O-CB 3.19Å; F1583-L1587 PolarHBondContact O-N 3.34Å; L1587-L1591 HydrophobicContact CD1-CD1 3.39Å; L1587-L1591 HydrophobicContact CG-CD1 3.6Å; L1587-L1591 WeakPolarHBondContact O-CB 3.43Å; L1587-F1672 HydrophobicContact CB-CZ 4.14Å; L1587-F1672 HydrophobicContact CD2-CE1 4.25Å |
| 1588 | P | 34.1 | Very low | 34.2 | Very low | 29 Ų | 29 | 76.9 Ų | 76.9 | 19% | 0.188 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -84.4 | -17.7 | -162.2 | 30 | -30.5 | 0 | 0 | 0 | 115.2 | T1592 F1672 | P1588-T1592 VanDerWaalsContact O-CG2 3.22Å; P1588-T1592 WeakPolarHBondContact O-CG2 3.44Å; P1588-T1592 PolarHBondContact O-OG1 2.72Å; P1588-F1672 HydrophobicContact CB-CZ 3.94Å; P1588-F1672 HydrophobicContact CG-CE2 4.35Å; P1588-F1672 HydrophobicContact CG-CZ 3.93Å |
| 1589 | N | 29.8 | Very low | 34 | Very low | 123 Ų | 123 | 75.3 Ų | 75.3 | 66% | 0.658 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -94.1 | -25.4 | -174.1 | -74.8 | -14.2 | 0 | 0 | 0 | 114.5 | T1593 | N1589-T1593 PolarHBondContact O-OG1 3.33Å |
| 1590 | E | 31.9 | Very low | 34 | Very low | 124 Ų | 124 | 74.1 Ų | 74.1 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -104.4 | -36.6 | -176.6 | -60.4 | -158.6 | 114.6 | 0 | 0 | 113.6 | T1592 K1594 | E1590-T1592 VanDerWaalsContact C-N 3.31Å; E1590-T1592 PolarHBondContact O-N 3.18Å; E1590-K1594 PolarHBondContact O-N 3.01Å; E1590-K1594 IonicContact OE1-NZ 2.75Å |
| 1591 | L | 31.3 | Very low | 33.7 | Very low | 88 Ų | 88 | 77.5 Ų | 77.5 | 46% | 0.461 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.7 | 178.5 | -81.8 | 150.5 | 0 | 0 | 0 | 113.8 | L1587 T1595 I1598 | L1587-L1591 HydrophobicContact CD1-CD1 3.39Å; L1587-L1591 HydrophobicContact CG-CD1 3.6Å; L1587-L1591 WeakPolarHBondContact O-CB 3.43Å; L1591-T1595 VanDerWaalsContact O-CG2 3.22Å; L1591-T1595 WeakPolarHBondContact O-CG2 3.48Å; L1591-I1598 HydrophobicContact CD2-CD1 3.62Å |
| 1592 | T | 31.3 | Very low | 33.2 | Very low | 79 Ų | 79 | 76.5 Ų | 76.5 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -19 | -177.6 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | P1588 E1590 | P1588-T1592 VanDerWaalsContact O-CG2 3.22Å; P1588-T1592 WeakPolarHBondContact O-CG2 3.44Å; P1588-T1592 PolarHBondContact O-OG1 2.72Å; E1590-T1592 VanDerWaalsContact C-N 3.31Å; E1590-T1592 PolarHBondContact O-N 3.18Å |
| 1593 | T | 30.3 | Very low | 32.9 | Very low | 103 Ų | 103 | 75.5 Ų | 75.5 | 63% | 0.632 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -18.1 | -169.9 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | N1589 | N1589-T1593 PolarHBondContact O-OG1 3.33Š|
| 1594 | K | 32.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 76.6 Ų | 76.6 | 58% | 0.583 | 42% | 0.417 | S | S | * | . | trans | -119.8 | 35.2 | -178.1 | -66.2 | 178.5 | -179.6 | 167.6 | 0 | 113.6 | E1590 N1596 | E1590-K1594 PolarHBondContact O-N 3.01Å; E1590-K1594 IonicContact OE1-NZ 2.75Å; K1594-N1596 PolarHBondContact O-N 3.26Å | ||
| 1595 | T | 30.2 | Very low | 31.9 | Very low | 59 Ų | 59 | 81.7 Ų | 81.7 | 36% | 0.362 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -61.1 | -9 | -167.8 | 46.5 | 0 | 0 | 0 | 0 | 117.3 | L1591 | L1591-T1595 VanDerWaalsContact O-CG2 3.22Å; L1591-T1595 WeakPolarHBondContact O-CG2 3.48Å |
| 1596 | N | 31.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 84.9 Ų | 84.9 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -88.2 | -1.1 | -171.5 | -70.6 | 20.3 | 0 | 0 | 0 | 115.2 | K1594 | K1594-N1596 PolarHBondContact O-N 3.26Š|
| 1597 | N | 31.3 | Very low | 30.7 | Very low | 93 Ų | 93 | 81.7 Ų | 81.7 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -118.9 | 7 | -175 | -67.4 | -31.2 | 0 | 0 | 0 | 115.7 | T1599 | N1597-T1599 VanDerWaalsContact C-N 3.32Å; N1597-T1599 PolarHBondContact O-N 2.87Å |
| 1598 | I | 31.9 | Very low | 30 | Very low | 65 Ų | 65 | 81.9 Ų | 81.9 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | trans | -79.5 | 83.3 | -176.6 | -52.4 | 174.4 | 0 | 0 | 0 | 110.5 | L1591 | L1591-I1598 HydrophobicContact CD2-CD1 3.62Š| ||
| 1599 | T | 29.3 | Very low | 29.6 | Very low | 69 Ų | 69 | 84.1 Ų | 84.1 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | trans | -84.5 | 159.5 | 154 | 52.1 | 0 | 0 | 0 | 0 | 109.3 | N1597 I1641 | N1597-T1599 VanDerWaalsContact C-N 3.32Å; N1597-T1599 PolarHBondContact O-N 2.87Å; T1599-I1641 HydrophobicContact CG2-CD1 4.06Å; T1599-I1641 HydrophobicContact CG2-CG1 4.41Å | ||
| 1600 | V | 33.2 | Very low | 29.5 | Very low | 23 Ų | 23 | 79.7 Ų | 79.7 | 14% | 0.139 | 46% | 0.463 | C | S | . | . | trans | 80.6 | 74.3 | 167.9 | -158.2 | 0 | 0 | 0 | 0 | 116.8 | L1564 C1568 | L1564-V1600 HydrophobicContact CB-CG1 4.02Å; L1564-V1600 HydrophobicContact CB-CG2 3.95Å; L1564-V1600 HydrophobicContact CD1-CG2 3.96Å; L1564-V1600 HydrophobicContact CD2-CB 4.15Å; L1564-V1600 HydrophobicContact CD2-CG1 4.27Å; L1564-V1600 HydrophobicContact CD2-CG2 3.88Å; L1564-V1600 HydrophobicContact CG-CG2 4.12Å; C1568-V1600 HydrophobicContact CB-CG1 4.04Å; C1568-V1600 WeakPolarHBondContact SG-CG1 3.29Å; C1568-V1600 PolarHBondContact SG-O 3.47Å | ||
| 1601 | I | 30.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.415 | 46% | 0.456 | S | S | . | . | trans | -129.6 | 86.1 | 144.2 | -55.8 | 175 | 0 | 0 | 0 | 106 | I1644 L1648 | I1601-I1644 WeakPolarHBondContact O-CG2 3.19Å; I1601-L1648 HydrophobicContact CB-CD2 4.44Å; I1601-L1648 HydrophobicContact CD1-CD2 4.03Å; I1601-L1648 HydrophobicContact CG2-CD2 4.2Å | ||
| 1602 | S | 28.3 | Very low | 29.2 | Very low | 34 Ų | 34 | 77.4 Ų | 77.4 | 24% | 0.238 | 45% | 0.454 | C | S | . | . | trans | -143.3 | 147.9 | -172.9 | 51.7 | 0 | 0 | 0 | 0 | 115.4 | L1565 | L1565-S1602 WeakPolarHBondContact CD1-O 3.47Å; L1565-S1602 VanDerWaalsContact CD1-OG 3.26Å; L1565-S1602 WeakPolarHBondContact CD1-OG 3.02Å; L1565-S1602 WeakPolarHBondContact CG-O 3.16Å | ||
| 1603 | N | 28.4 | Very low | 29.3 | Very low | 66 Ų | 66 | 76.1 Ų | 76.1 | 35% | 0.353 | 45% | 0.448 | S | S | . | . | trans | 67.5 | 93.4 | 153.2 | -55.2 | -8.8 | 0 | 0 | 0 | 119.6 | L1565 R1569 | L1565-N1603 HydrophobicContact CD1-CB 4.37Å; L1565-N1603 HydrophobicContact CD2-CB 4.25Å; R1569-N1603 PolarHBondContact NH2-O 3.15Å | ||
| 1604 | S | 29 | Very low | 29.3 | Very low | 82 Ų | 82 | 74.5 Ų | 74.5 | 57% | 0.573 | 44% | 0.436 | S | S | * | . | -177.4 | 98 | 118.1 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | R1569 | R1569-S1604 PolarHBondContact NH2-OG 3.04Å; R1569-S1604 VanDerWaalsContact NH2-OG 3.14Å | |||
| 1605 | E | 29.6 | Very low | 29.7 | Very low | 111 Ų | 111 | 70.6 Ų | 70.6 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | trans | -95.1 | -8.2 | 174.6 | -94.4 | -152.1 | 158.5 | 0 | 0 | 113.9 | G1607 Y1914 K1918 | E1605-G1607 PolarHBondContact O-N 3.39Å; E1605-Y1914 PolarHBondContact OE2-OH 3.29Å; E1605-K1918 IonicContact OE2-NZ 2.75Å | ||
| 1606 | D | 25.5 | Very low | 30.3 | Very low | 123 Ų | 123 | 70 Ų | 70 | 66% | 0.658 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -94.1 | 98.7 | -172.6 | -61.2 | -54.2 | 0 | 0 | 0 | 111.9 | ||
| 1607 | G | 24.9 | Very low | 30.8 | Very low | 80 Ų | 80 | 69.9 Ų | 69.9 | 83% | 0.825 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 141.5 | -11.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | E1605 | E1605-G1607 PolarHBondContact O-N 3.39Š|
| 1608 | S | 25.8 | Very low | 31.5 | Very low | 52 Ų | 52 | 69 Ų | 69 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | trans | -154.3 | 83.2 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 115 | S1610 L1611 | S1608-S1610 PolarHBondContact O-N 3.4Å; S1608-L1611 PolarHBondContact O-N 3.18Å; S1608-L1611 VanDerWaalsContact O-N 3.15Å | ||
| 1609 | S | 26.6 | Very low | 32.4 | Very low | 77 Ų | 77 | 67.4 Ų | 67.4 | 54% | 0.538 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.6 | -30.8 | 173.5 | 35.7 | 0 | 0 | 0 | 0 | 113.8 | D1117 S1613 | D1117-S1609 PolarHBondContact OD2-OG 3.25Å; S1609-S1613 VanDerWaalsContact O-CB 3.28Å; S1609-S1613 WeakPolarHBondContact O-CB 3.44Å; S1609-S1613 PolarHBondContact O-N 2.94Å; S1609-S1613 VanDerWaalsContact O-N 3.15Å; S1609-S1613 PolarHBondContact O-OG 2.9Å |
| 1610 | S | 26.3 | Very low | 33.8 | Very low | 29 Ų | 29 | 64.4 Ų | 64.4 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.7 | -28.9 | 176 | 38 | 0 | 0 | 0 | 0 | 115.2 | D1117 S1608 S1613 N1614 | D1117-S1610 VanDerWaalsContact CG-CB 3.46Å; D1117-S1610 WeakPolarHBondContact OD2-CB 3.4Å; D1117-S1610 PolarHBondContact OD2-N 3.09Å; D1117-S1610 VanDerWaalsContact OD2-N 3.13Å; D1117-S1610 PolarHBondContact OD2-OG 2.94Å; S1608-S1610 PolarHBondContact O-N 3.4Å; S1610-S1613 WeakPolarHBondContact CA-OG 3.45Å; S1610-S1613 PolarHBondContact O-OG 3.11Å; S1610-N1614 WeakPolarHBondContact O-CB 3.47Å; S1610-N1614 VanDerWaalsContact O-CG 3.29Å; S1610-N1614 PolarHBondContact O-N 3.26Å; S1610-N1614 PolarHBondContact O-ND2 3.21Å; S1610-N1614 VanDerWaalsContact O-ND2 3.09Å |
| 1611 | L | 27 | Very low | 35.1 | Very low | 85 Ų | 85 | 64 Ų | 64 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -80.8 | -47.3 | -177.7 | -89.8 | 162 | 0 | 0 | 0 | 111.6 | S1608 N1614 N1615 | S1608-L1611 PolarHBondContact O-N 3.18Å; S1608-L1611 VanDerWaalsContact O-N 3.15Å; L1611-N1614 PolarHBondContact O-N 3.28Å; L1611-N1615 WeakPolarHBondContact O-CB 3.38Å; L1611-N1615 PolarHBondContact O-N 2.77Å |
| 1612 | L | 30.8 | Very low | 36.6 | Very low | 79 Ų | 79 | 61.3 Ų | 61.3 | 41% | 0.414 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 173.3 | -99.4 | 140.5 | 0 | 0 | 0 | 111.5 | N1614 N1615 L1616 | L1612-N1614 VanDerWaalsContact C-N 3.33Å; L1612-N1614 PolarHBondContact O-N 2.77Å; L1612-N1615 PolarHBondContact O-N 2.85Å; L1612-L1616 HydrophobicContact CB-CD1 4.25Å; L1612-L1616 HydrophobicContact CD2-CD1 3.66Å; L1612-L1616 HydrophobicContact CD2-CD2 4.5Å; L1612-L1616 HydrophobicContact CD2-CG 4.04Å; L1612-L1616 WeakPolarHBondContact O-CB 3.47Å; L1612-L1616 WeakPolarHBondContact O-CD1 3.47Å; L1612-L1616 WeakPolarHBondContact O-CG 3.42Å; L1612-L1616 PolarHBondContact O-N 3.03Å |
| 1613 | S | 32.9 | Very low | 38.4 | Very low | 52 Ų | 52 | 59.8 Ų | 59.8 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.1 | -28.8 | 178.6 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | S1609 S1610 K1617 | S1609-S1613 VanDerWaalsContact O-CB 3.28Å; S1609-S1613 WeakPolarHBondContact O-CB 3.44Å; S1609-S1613 PolarHBondContact O-N 2.94Å; S1609-S1613 VanDerWaalsContact O-N 3.15Å; S1609-S1613 PolarHBondContact O-OG 2.9Å; S1610-S1613 WeakPolarHBondContact CA-OG 3.45Å; S1610-S1613 PolarHBondContact O-OG 3.11Å; S1613-K1617 WeakPolarHBondContact O-CG 3.25Å |
| 1614 | N | 31.2 | Very low | 40.2 | Very low | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -81.7 | -38.5 | 176.2 | -76 | -26.2 | 0 | 0 | 0 | 111.8 | S1610 L1611 L1612 K1617 | S1610-N1614 WeakPolarHBondContact O-CB 3.47Å; S1610-N1614 VanDerWaalsContact O-CG 3.29Å; S1610-N1614 PolarHBondContact O-N 3.26Å; S1610-N1614 PolarHBondContact O-ND2 3.21Å; S1610-N1614 VanDerWaalsContact O-ND2 3.09Å; L1611-N1614 PolarHBondContact O-N 3.28Å; L1612-N1614 VanDerWaalsContact C-N 3.33Å; L1612-N1614 PolarHBondContact O-N 2.77Å; N1614-K1617 PolarHBondContact O-N 3.24Å; N1614-K1617 PolarHBondContact OD1-NZ 2.97Å |
| 1615 | N | 40 | Very low | 42 | Very low | 52 Ų | 52 | 53.7 Ų | 53.7 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -80 | -30.4 | -179.4 | -67.1 | -2.1 | 0 | 0 | 0 | 112.3 | L1611 L1612 K1617 L1618 F1619 | L1611-N1615 WeakPolarHBondContact O-CB 3.38Å; L1611-N1615 PolarHBondContact O-N 2.77Å; L1612-N1615 PolarHBondContact O-N 2.85Å; N1615-K1617 VanDerWaalsContact C-N 3.27Å; N1615-K1617 PolarHBondContact O-N 3.05Å; N1615-L1618 PolarHBondContact O-N 2.99Å; N1615-F1619 WeakPolarHBondContact O-CD2 3.29Å |
| 1616 | L | 41.8 | Very low | 43.6 | Very low | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -21.5 | 172.5 | -71.6 | 167.1 | 0 | 0 | 0 | 113.6 | L1612 L1618 F1619 L1620 L1655 | L1612-L1616 HydrophobicContact CB-CD1 4.25Å; L1612-L1616 HydrophobicContact CD2-CD1 3.66Å; L1612-L1616 HydrophobicContact CD2-CD2 4.5Å; L1612-L1616 HydrophobicContact CD2-CG 4.04Å; L1612-L1616 WeakPolarHBondContact O-CB 3.47Å; L1612-L1616 WeakPolarHBondContact O-CD1 3.47Å; L1612-L1616 WeakPolarHBondContact O-CG 3.42Å; L1612-L1616 PolarHBondContact O-N 3.03Å; L1616-L1618 VanDerWaalsContact C-N 3.25Å; L1616-L1618 PolarHBondContact O-N 3.14Å; L1616-F1619 PolarHBondContact O-N 3Å; L1616-F1619 VanDerWaalsContact O-N 3.09Å; L1616-L1620 PolarHBondContact O-N 3.12Å; L1616-L1655 HydrophobicContact CB-CD1 4.15Å; L1616-L1655 HydrophobicContact CB-CD2 4.35Å; L1616-L1655 HydrophobicContact CD1-CD1 4Å; L1616-L1655 HydrophobicContact CD1-CD2 4.31Å; L1616-L1655 HydrophobicContact CD2-CD1 3.88Å; L1616-L1655 HydrophobicContact CG-CD1 4.23Å |
| 1617 | K | 43.1 | Very low | 45.6 | Very low | 100 Ų | 100 | 46 Ų | 46 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -32.9 | 171.4 | -76.2 | 166.4 | -176.4 | 170.6 | 0 | 111.9 | F1120 S1613 N1614 N1615 | F1120-K1617 PolarHBondContact O-NZ 3.28Å; S1613-K1617 WeakPolarHBondContact O-CG 3.25Å; N1614-K1617 PolarHBondContact O-N 3.24Å; N1614-K1617 PolarHBondContact OD1-NZ 2.97Å; N1615-K1617 VanDerWaalsContact C-N 3.27Å; N1615-K1617 PolarHBondContact O-N 3.05Å |
| 1618 | L | 44.7 | Very low | 47.6 | Very low | 74 Ų | 74 | 43.3 Ų | 43.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.8 | -27.9 | 173.1 | -71.8 | 95.4 | 0 | 0 | 0 | 112.6 | V1575 N1615 L1616 P1621 | V1575-L1618 VanDerWaalsContact O-CD2 3.23Å; V1575-L1618 WeakPolarHBondContact O-CD2 3.29Å; N1615-L1618 PolarHBondContact O-N 2.99Å; L1616-L1618 VanDerWaalsContact C-N 3.25Å; L1616-L1618 PolarHBondContact O-N 3.14Å; L1618-P1621 WeakPolarHBondContact O-CD 3.26Å |
| 1619 | F | 51.6 | Low | 49.2 | Very low | 31 Ų | 31 | 44 Ų | 44 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -84.3 | -13.2 | 177 | -74.9 | -75.5 | 0 | 0 | 0 | 114.4 | M1572 V1575 N1615 L1616 P1621 Y1622 V1623 | M1572-F1619 HydrophobicContact CE-CE1 3.65Å; M1572-F1619 HydrophobicContact CE-CZ 3.67Å; M1572-F1619 WeakPolarHBondContact O-CZ 3.41Å; V1575-F1619 HydrophobicContact CB-CE1 4.49Å; V1575-F1619 HydrophobicContact CB-CZ 4.23Å; V1575-F1619 HydrophobicContact CG2-CE1 4.07Å; V1575-F1619 HydrophobicContact CG2-CZ 3.74Å; N1615-F1619 WeakPolarHBondContact O-CD2 3.29Å; L1616-F1619 PolarHBondContact O-N 3Å; L1616-F1619 VanDerWaalsContact O-N 3.09Å; F1619-P1621 VanDerWaalsContact C-CD 3.43Å; F1619-Y1622 CarbonylContact O-C 3.58Å; F1619-Y1622 WeakPolarHBondContact O-CA 3.24Å; F1619-Y1622 WeakPolarHBondContact O-CB 3.43Å; F1619-Y1622 PolarHBondContact O-N 2.93Å; F1619-V1623 PolarHBondContact O-N 2.95Å |
| 1620 | L | 59.5 | Low | 51 | Low | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -51.6 | -42.3 | -176.4 | -141.5 | 81.8 | 0 | 0 | 0 | 114.5 | L1616 Y1622 V1623 L1655 L1658 I1662 | L1616-L1620 PolarHBondContact O-N 3.12Å; L1620-Y1622 PolarHBondContact O-N 3.17Å; L1620-V1623 PolarHBondContact O-N 3.48Å; L1620-L1655 HydrophobicContact CD1-CB 3.97Å; L1620-L1655 HydrophobicContact CD1-CD2 4.33Å; L1620-L1658 HydrophobicContact CD1-CB 4.19Å; L1620-L1658 HydrophobicContact CD2-CB 3.71Å; L1620-I1662 HydrophobicContact CB-CD1 4.26Å; L1620-I1662 HydrophobicContact CD2-CD1 3.38Å; L1620-I1662 HydrophobicContact CD2-CG1 3.89Å; L1620-I1662 HydrophobicContact CG-CD1 4.45Å |
| 1621 | P | 59.9 | Low | 53 | Low | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -65.1 | -16.4 | 176.1 | -21.3 | 34.3 | 0 | 0 | 0 | 114.9 | L1618 F1619 I1662 P1665 R1676 | L1618-P1621 WeakPolarHBondContact O-CD 3.26Å; F1619-P1621 VanDerWaalsContact C-CD 3.43Å; P1621-I1662 HydrophobicContact CG-CG2 4.49Å; P1621-P1665 HydrophobicContact CB-CG 3.68Å; P1621-P1665 HydrophobicContact CG-CG 4.02Å; P1621-R1676 PolarHBondContact O-NE 2.99Å; P1621-R1676 PolarHBondContact O-NH1 2.69Å |
| 1622 | Y | 61.7 | Low | 54.7 | Low | 26 Ų | 26 | 42.5 Ų | 42.5 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -106.8 | -4.3 | -176.4 | -61 | -81.6 | 0 | 0 | 0 | 113.2 | T1580 E1584 F1619 L1620 V1624 L1625 L1626 M1668 | T1580-Y1622 WeakPolarHBondContact CG2-OH 3.35Å; E1584-Y1622 PolarHBondContact OE1-OH 3.45Å; F1619-Y1622 CarbonylContact O-C 3.58Å; F1619-Y1622 WeakPolarHBondContact O-CA 3.24Å; F1619-Y1622 WeakPolarHBondContact O-CB 3.43Å; F1619-Y1622 PolarHBondContact O-N 2.93Å; L1620-Y1622 PolarHBondContact O-N 3.17Å; Y1622-V1624 VanDerWaalsContact C-N 3.29Å; Y1622-V1624 PolarHBondContact O-N 3.41Å; Y1622-L1625 HydrophobicContact CD1-CD1 3.91Å; Y1622-L1625 WeakPolarHBondContact O-CB 3.38Å; Y1622-L1625 PolarHBondContact O-N 3.5Å; Y1622-L1626 PolarHBondContact O-N 3.01Å; Y1622-L1626 VanDerWaalsContact O-N 3.09Å; Y1622-M1668 HydrophobicContact CD1-CE 4.31Å; Y1622-M1668 HydrophobicContact CE1-CE 3.78Å |
| 1623 | V | 65.4 | Low | 56.1 | Low | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.5 | -44.8 | -178.8 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | F1619 L1620 L1625 L1626 L1627 L1652 L1655 L1656 | F1619-V1623 PolarHBondContact O-N 2.95Å; L1620-V1623 PolarHBondContact O-N 3.48Å; V1623-L1625 VanDerWaalsContact C-N 3.31Å; V1623-L1625 PolarHBondContact O-N 3.38Å; V1623-L1626 PolarHBondContact O-N 3.18Å; V1623-L1627 WeakPolarHBondContact O-CB 3.42Å; V1623-L1627 PolarHBondContact O-N 3.29Å; V1623-L1652 HydrophobicContact CG1-CD2 4.26Å; V1623-L1652 HydrophobicContact CG2-CD2 4.3Å; V1623-L1655 HydrophobicContact CG2-CB 4.41Å; V1623-L1655 HydrophobicContact CG2-CD1 4.37Å; V1623-L1656 HydrophobicContact CG1-CD2 3.72Å |
| 1624 | V | 67.8 | Low | 57.7 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | Y1622 L1626 L1627 E1659 R1676 Q1679 R1680 I1683 | Y1622-V1624 VanDerWaalsContact C-N 3.29Å; Y1622-V1624 PolarHBondContact O-N 3.41Å; V1624-L1626 VanDerWaalsContact C-N 3.34Å; V1624-L1626 PolarHBondContact O-N 3.3Å; V1624-L1627 PolarHBondContact O-N 3.15Å; V1624-E1659 VanDerWaalsContact CG2-CD 3.43Å; V1624-E1659 WeakPolarHBondContact CG2-OE1 3.48Å; V1624-E1659 WeakPolarHBondContact CG2-OE2 3.48Å; V1624-R1676 HydrophobicContact CB-CG 4Å; V1624-R1676 HydrophobicContact CG1-CG 4.07Å; V1624-R1676 WeakPolarHBondContact CG1-O 3.3Å; V1624-R1676 HydrophobicContact CG2-CG 4.25Å; V1624-Q1679 HydrophobicContact CG1-CB 3.55Å; V1624-Q1679 PolarHBondContact O-OE1 3.19Å; V1624-R1680 HydrophobicContact CG1-CB 4.3Å; V1624-I1683 HydrophobicContact CB-CD1 4.05Å; V1624-I1683 HydrophobicContact CG1-CD1 3.83Å; V1624-I1683 HydrophobicContact CG2-CD1 3.7Å |
| 1625 | L | 65.4 | Low | 59 | Low | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.6 | -29.1 | -179.8 | -65.8 | 169.2 | 0 | 0 | 0 | 112.8 | Y1622 V1623 P1629 F1672 I1675 R1676 Q1679 | Y1622-L1625 HydrophobicContact CD1-CD1 3.91Å; Y1622-L1625 WeakPolarHBondContact O-CB 3.38Å; Y1622-L1625 PolarHBondContact O-N 3.5Å; V1623-L1625 VanDerWaalsContact C-N 3.31Å; V1623-L1625 PolarHBondContact O-N 3.38Å; L1625-P1629 WeakPolarHBondContact O-CD 3.15Å; L1625-P1629 WeakPolarHBondContact O-CG 3.47Å; L1625-F1672 HydrophobicContact CD1-CD1 4.01Å; L1625-F1672 HydrophobicContact CD2-CD1 4.3Å; L1625-I1675 HydrophobicContact CD2-CB 4.13Å; L1625-I1675 HydrophobicContact CD2-CG2 3.65Å; L1625-R1676 HydrophobicContact CD2-CB 4.14Å; L1625-R1676 HydrophobicContact CG-CB 4.36Å; L1625-Q1679 VanDerWaalsContact CA-OE1 3.31Å |
| 1626 | L | 63.7 | Low | 60.1 | Low | 71 Ų | 71 | 38.3 Ų | 38.3 | 37% | 0.372 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -85.5 | -29.1 | 177.7 | -66.4 | 171.6 | 0 | 0 | 0 | 112.9 | Y1622 V1623 V1624 T1628 P1629 T1630 L1652 | Y1622-L1626 PolarHBondContact O-N 3.01Å; Y1622-L1626 VanDerWaalsContact O-N 3.09Å; V1623-L1626 PolarHBondContact O-N 3.18Å; V1624-L1626 VanDerWaalsContact C-N 3.34Å; V1624-L1626 PolarHBondContact O-N 3.3Å; L1626-T1628 PolarHBondContact O-N 3.3Å; L1626-P1629 WeakPolarHBondContact O-CD 3.38Å; L1626-T1630 WeakPolarHBondContact O-CG2 2.93Å; L1626-T1630 PolarHBondContact O-N 3.03Å; L1626-T1630 VanDerWaalsContact O-N 3.15Å; L1626-T1630 PolarHBondContact O-OG1 2.87Å; L1626-L1652 HydrophobicContact CB-CD1 4.2Å |
| 1627 | L | 67.6 | Low | 60.8 | Low | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | -174.9 | -161.6 | 65.7 | 0 | 0 | 0 | 111.9 | V1623 V1624 T1630 L1631 F1649 L1652 L1656 F1682 I1683 | V1623-L1627 WeakPolarHBondContact O-CB 3.42Å; V1623-L1627 PolarHBondContact O-N 3.29Å; V1624-L1627 PolarHBondContact O-N 3.15Å; L1627-T1630 PolarHBondContact O-N 3.37Å; L1627-T1630 VanDerWaalsContact O-N 3.1Å; L1627-T1630 PolarHBondContact O-OG1 3.21Å; L1627-L1631 WeakPolarHBondContact O-CG 3.09Å; L1627-L1631 PolarHBondContact O-N 3.38Å; L1627-L1631 VanDerWaalsContact O-N 3.11Å; L1627-F1649 HydrophobicContact CD1-CD2 3.75Å; L1627-F1649 HydrophobicContact CD1-CE2 3.73Å; L1627-F1649 HydrophobicContact CG-CE2 4.42Å; L1627-L1652 HydrophobicContact CD1-CB 4.01Å; L1627-L1652 HydrophobicContact CD1-CD1 4.32Å; L1627-L1656 HydrophobicContact CD2-CD2 4.35Å; L1627-F1682 HydrophobicContact CD2-CD1 3.98Å; L1627-F1682 HydrophobicContact CD2-CE1 3.62Å; L1627-F1682 HydrophobicContact CG-CE1 4.11Å; L1627-I1683 HydrophobicContact CD2-CD1 3.84Å; L1627-I1683 HydrophobicContact CD2-CG1 3.55Å |
| 1628 | T | 66.1 | Low | 61.5 | Low | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | -177.1 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | L1626 T1630 Q1679 | L1626-T1628 PolarHBondContact O-N 3.3Å; T1628-T1630 PolarHBondContact O-N 3.29Å; T1628-Q1679 WeakPolarHBondContact OG1-CG 3.22Å |
| 1629 | P | 60.4 | Low | 62.3 | Low | 67 Ų | 67 | 42.7 Ų | 42.7 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 168.5 | -28.1 | 34.8 | 0 | 0 | 0 | 114.1 | L1625 L1626 L1631 R1632 | L1625-P1629 WeakPolarHBondContact O-CD 3.15Å; L1625-P1629 WeakPolarHBondContact O-CG 3.47Å; L1626-P1629 WeakPolarHBondContact O-CD 3.38Å; P1629-L1631 PolarHBondContact O-N 3.41Å; P1629-R1632 PolarHBondContact O-N 3.39Å |
| 1630 | T | 64.5 | Low | 62.6 | Low | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.7 | -35.3 | -177.5 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | L1626 L1627 T1628 R1632 L1633 I1634 L1648 L1652 | L1626-T1630 WeakPolarHBondContact O-CG2 2.93Å; L1626-T1630 PolarHBondContact O-N 3.03Å; L1626-T1630 VanDerWaalsContact O-N 3.15Å; L1626-T1630 PolarHBondContact O-OG1 2.87Å; L1627-T1630 PolarHBondContact O-N 3.37Å; L1627-T1630 VanDerWaalsContact O-N 3.1Å; L1627-T1630 PolarHBondContact O-OG1 3.21Å; T1628-T1630 PolarHBondContact O-N 3.29Å; T1630-R1632 VanDerWaalsContact C-N 3.28Å; T1630-R1632 PolarHBondContact O-N 2.94Å; T1630-L1633 WeakPolarHBondContact O-CB 3.01Å; T1630-L1633 PolarHBondContact O-N 2.96Å; T1630-I1634 PolarHBondContact O-N 3.39Å; T1630-L1648 HydrophobicContact CG2-CD2 3.51Å; T1630-L1648 HydrophobicContact CG2-CG 3.87Å; T1630-L1652 HydrophobicContact CG2-CD1 3.91Å |
| 1631 | L | 68.2 | Low | 62.5 | Low | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.6 | -42.8 | 173.7 | -68.5 | 170.3 | 0 | 0 | 0 | 112.1 | L1627 P1629 L1633 I1634 F1649 F1682 L1724 | L1627-L1631 WeakPolarHBondContact O-CG 3.09Å; L1627-L1631 PolarHBondContact O-N 3.38Å; L1627-L1631 VanDerWaalsContact O-N 3.11Å; P1629-L1631 PolarHBondContact O-N 3.41Å; L1631-L1633 PolarHBondContact O-N 3.13Å; L1631-I1634 HydrophobicContact CD2-CD1 4.39Å; L1631-I1634 WeakPolarHBondContact O-CB 3.36Å; L1631-I1634 PolarHBondContact O-N 3.02Å; L1631-I1634 VanDerWaalsContact O-N 3.14Å; L1631-F1649 HydrophobicContact CD2-CD2 3.97Å; L1631-F1649 HydrophobicContact CD2-CE2 3.44Å; L1631-F1649 VanDerWaalsContact CD2-CE2 3.44Å; L1631-F1649 HydrophobicContact CD2-CZ 3.75Å; L1631-F1649 HydrophobicContact CG-CE2 4.3Å; L1631-F1682 HydrophobicContact CD1-CD1 4.41Å; L1631-F1682 HydrophobicContact CD1-CE1 3.64Å; L1631-F1682 HydrophobicContact CD1-CE2 4.16Å; L1631-F1682 HydrophobicContact CD1-CZ 3.49Å; L1631-F1682 VanDerWaalsContact CD1-CZ 3.49Å; L1631-F1682 HydrophobicContact CD2-CZ 4.46Å; L1631-L1724 HydrophobicContact CD2-CD2 3.55Å; L1631-L1724 HydrophobicContact CD2-CG 4.14Å |
| 1632 | R | 61.4 | Low | 62.8 | Low | 145 Ų | 145 | 48.8 Ų | 48.8 | 55% | 0.547 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.7 | -18.9 | 178.1 | -62.1 | -178.5 | 179.6 | -171.5 | -1.2 | 113.7 | P1629 T1630 S1635 | P1629-R1632 PolarHBondContact O-N 3.39Å; T1630-R1632 VanDerWaalsContact C-N 3.28Å; T1630-R1632 PolarHBondContact O-N 2.94Å; R1632-S1635 PolarHBondContact O-OG 3.33Å |
| 1633 | L | 61.5 | Low | 62.8 | Low | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -84.8 | -20.4 | 175.6 | -61.6 | 173.7 | 0 | 0 | 0 | 112.2 | T1630 L1631 S1635 N1636 I1641 A1645 | T1630-L1633 WeakPolarHBondContact O-CB 3.01Å; T1630-L1633 PolarHBondContact O-N 2.96Å; L1631-L1633 PolarHBondContact O-N 3.13Å; L1633-S1635 VanDerWaalsContact C-N 3.31Å; L1633-N1636 VanDerWaalsContact O-CB 3.25Å; L1633-N1636 WeakPolarHBondContact O-CB 3.31Å; L1633-N1636 PolarHBondContact O-N 3.2Å; L1633-I1641 HydrophobicContact CB-CG2 4.16Å; L1633-I1641 HydrophobicContact CD2-CG2 4.04Å; L1633-A1645 VanDerWaalsContact C-CB 3.43Å; L1633-A1645 HydrophobicContact CB-CB 3.49Å; L1633-A1645 VanDerWaalsContact CB-CB 3.49Å |
| 1634 | I | 65.8 | Low | 62.5 | Low | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -31.6 | 175.3 | -59.4 | 173.9 | 0 | 0 | 0 | 111.1 | T1630 L1631 R1642 A1645 F1649 | T1630-I1634 PolarHBondContact O-N 3.39Å; L1631-I1634 HydrophobicContact CD2-CD1 4.39Å; L1631-I1634 WeakPolarHBondContact O-CB 3.36Å; L1631-I1634 PolarHBondContact O-N 3.02Å; L1631-I1634 VanDerWaalsContact O-N 3.14Å; I1634-R1642 WeakPolarHBondContact O-CD 3.35Å; I1634-R1642 WeakPolarHBondContact O-CG 3.39Å; I1634-A1645 HydrophobicContact CG1-CB 3.78Å; I1634-F1649 HydrophobicContact CD1-CB 3.91Å; I1634-F1649 HydrophobicContact CD1-CD1 3.79Å; I1634-F1649 HydrophobicContact CD1-CD2 4.47Å; I1634-F1649 HydrophobicContact CD1-CE1 4.42Å; I1634-F1649 HydrophobicContact CD1-CG 3.82Å |
| 1635 | S | 59.7 | Low | 62.2 | Low | 79 Ų | 79 | 51 Ų | 51 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 4.7 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | R1632 L1633 | R1632-S1635 PolarHBondContact O-OG 3.33Å; L1633-S1635 VanDerWaalsContact C-N 3.31Å |
| 1636 | N | 61.6 | Low | 62.3 | Low | 37 Ų | 37 | 50.1 Ų | 50.1 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | trans | -61.4 | 147.1 | -178.6 | -168.3 | -72.3 | 0 | 0 | 0 | 112.3 | L1633 N1638 I1641 R1642 | L1633-N1636 VanDerWaalsContact O-CB 3.25Å; L1633-N1636 WeakPolarHBondContact O-CB 3.31Å; L1633-N1636 PolarHBondContact O-N 3.2Å; N1636-N1638 VanDerWaalsContact C-N 3.3Å; N1636-N1638 PolarHBondContact O-N 3.47Å; N1636-N1638 WeakPolarHBondContact OD1-CB 3.45Å; N1636-N1638 PolarHBondContact OD1-N 2.87Å; N1636-I1641 HydrophobicContact CB-CB 4.15Å; N1636-I1641 HydrophobicContact CB-CG2 3.81Å; N1636-R1642 HydrophobicContact CB-CG 4.34Å; N1636-R1642 WeakPolarHBondContact O-CD 3.33Å; N1636-R1642 WeakPolarHBondContact O-CG 3.38Å; N1636-R1642 PolarHBondContact O-NH1 3.37Å | ||
| 1637 | S | 57 | Low | 62.3 | Low | 116 Ų | 116 | 49.8 Ų | 49.8 | 81% | 0.811 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -67 | -26.4 | 179.4 | 59.2 | 0 | 0 | 0 | 0 | 114 | R1642 | S1637-R1642 PolarHBondContact O-NH1 3.34Š|
| 1638 | N | 57.5 | Low | 62 | Low | 65 Ų | 65 | 51.8 Ų | 51.8 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -83.5 | 119.1 | 178.7 | -175.1 | -17.5 | 0 | 0 | 0 | 111.8 | N1636 H1640 I1641 R1642 | N1636-N1638 VanDerWaalsContact C-N 3.3Å; N1636-N1638 PolarHBondContact O-N 3.47Å; N1636-N1638 WeakPolarHBondContact OD1-CB 3.45Å; N1636-N1638 PolarHBondContact OD1-N 2.87Å; N1638-H1640 VanDerWaalsContact C-N 3.25Å; N1638-H1640 PolarHBondContact O-N 3.37Å; N1638-H1640 PolarHBondContact OD1-CD2 2.79Å; N1638-H1640 PolarHBondContact OD1-N 3.41Å; N1638-I1641 HydrophobicContact CB-CB 4.31Å; N1638-I1641 HydrophobicContact CB-CD1 4.02Å; N1638-I1641 HydrophobicContact CB-CG1 4.05Å; N1638-I1641 PolarHBondContact O-N 3.33Å; N1638-I1641 VanDerWaalsContact O-N 3.09Å; N1638-R1642 PolarHBondContact O-N 3Å; N1638-R1642 VanDerWaalsContact O-N 3.11Å |
| 1639 | Q | 62.8 | Low | 62.5 | Low | 130 Ų | 130 | 50.6 Ų | 50.6 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -53.9 | -38.1 | 179 | -176 | 174.8 | -4 | 0 | 0 | 113.2 | R1642 S1643 | Q1639-R1642 PolarHBondContact O-N 2.98Å; Q1639-S1643 PolarHBondContact O-N 3.11Å; Q1639-S1643 PolarHBondContact O-OG 3.4Å |
| 1640 | H | 57.6 | Low | 62.9 | Low | 85 Ų | 85 | 47.9 Ų | 47.9 | 39% | 0.394 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.5 | -37.4 | 179.9 | -61.2 | -69.3 | 0 | 0 | 0 | 112.5 | N1638 S1643 I1644 | N1638-H1640 VanDerWaalsContact C-N 3.25Å; N1638-H1640 PolarHBondContact O-N 3.37Å; N1638-H1640 PolarHBondContact OD1-CD2 2.79Å; N1638-H1640 PolarHBondContact OD1-N 3.41Å; H1640-S1643 PolarHBondContact O-N 2.9Å; H1640-I1644 WeakPolarHBondContact O-CG1 3.49Å; H1640-I1644 PolarHBondContact O-N 2.8Å; H1640-I1644 VanDerWaalsContact O-N 3.12Å |
| 1641 | I | 57.7 | Low | 62.9 | Low | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.6 | -44 | 177 | -61.6 | 179.7 | 0 | 0 | 0 | 109.5 | T1599 L1633 N1636 N1638 S1643 I1644 A1645 | T1599-I1641 HydrophobicContact CG2-CD1 4.06Å; T1599-I1641 HydrophobicContact CG2-CG1 4.41Å; L1633-I1641 HydrophobicContact CB-CG2 4.16Å; L1633-I1641 HydrophobicContact CD2-CG2 4.04Å; N1636-I1641 HydrophobicContact CB-CB 4.15Å; N1636-I1641 HydrophobicContact CB-CG2 3.81Å; N1638-I1641 HydrophobicContact CB-CB 4.31Å; N1638-I1641 HydrophobicContact CB-CD1 4.02Å; N1638-I1641 HydrophobicContact CB-CG1 4.05Å; N1638-I1641 PolarHBondContact O-N 3.33Å; N1638-I1641 VanDerWaalsContact O-N 3.09Å; I1641-S1643 PolarHBondContact O-N 3.43Å; I1641-I1644 PolarHBondContact O-N 3.19Å; I1641-A1645 VanDerWaalsContact O-CB 3.29Å; I1641-A1645 WeakPolarHBondContact O-CB 3.47Å; I1641-A1645 PolarHBondContact O-N 2.85Å |
| 1642 | R | 65.1 | Low | 63 | Low | 68 Ų | 68 | 49.3 Ų | 49.3 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 174.1 | -62.1 | -163.5 | -67.9 | -89.1 | 2.3 | 112.4 | I1634 N1636 S1637 N1638 Q1639 I1644 A1645 G1646 | I1634-R1642 WeakPolarHBondContact O-CD 3.35Å; I1634-R1642 WeakPolarHBondContact O-CG 3.39Å; N1636-R1642 HydrophobicContact CB-CG 4.34Å; N1636-R1642 WeakPolarHBondContact O-CD 3.33Å; N1636-R1642 WeakPolarHBondContact O-CG 3.38Å; N1636-R1642 PolarHBondContact O-NH1 3.37Å; S1637-R1642 PolarHBondContact O-NH1 3.34Å; N1638-R1642 PolarHBondContact O-N 3Å; N1638-R1642 VanDerWaalsContact O-N 3.11Å; Q1639-R1642 PolarHBondContact O-N 2.98Å; R1642-I1644 VanDerWaalsContact C-N 3.35Å; R1642-I1644 PolarHBondContact O-N 3.18Å; R1642-A1645 PolarHBondContact O-N 2.85Å; R1642-G1646 PolarHBondContact O-N 3.38Å |
| 1643 | S | 63 | Low | 63.6 | Low | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 179.3 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | Q1639 H1640 I1641 R1647 | Q1639-S1643 PolarHBondContact O-N 3.11Å; Q1639-S1643 PolarHBondContact O-OG 3.4Å; H1640-S1643 PolarHBondContact O-N 2.9Å; I1641-S1643 PolarHBondContact O-N 3.43Å; S1643-R1647 WeakPolarHBondContact O-CG 3.32Å; S1643-R1647 PolarHBondContact O-N 2.66Å |
| 1644 | I | 58.5 | Low | 63.9 | Low | 52 Ų | 52 | 43.5 Ų | 43.5 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 175.9 | -70.9 | 165.4 | 0 | 0 | 0 | 110.6 | I1601 H1640 I1641 R1642 G1646 R1647 L1648 | I1601-I1644 WeakPolarHBondContact O-CG2 3.19Å; H1640-I1644 WeakPolarHBondContact O-CG1 3.49Å; H1640-I1644 PolarHBondContact O-N 2.8Å; H1640-I1644 VanDerWaalsContact O-N 3.12Å; I1641-I1644 PolarHBondContact O-N 3.19Å; R1642-I1644 VanDerWaalsContact C-N 3.35Å; R1642-I1644 PolarHBondContact O-N 3.18Å; I1644-G1646 PolarHBondContact O-N 2.77Å; I1644-R1647 PolarHBondContact O-N 2.96Å; I1644-L1648 WeakPolarHBondContact O-CB 3.37Å; I1644-L1648 PolarHBondContact O-N 3.43Å |
| 1645 | A | 62 | Low | 64 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1633 I1634 I1641 R1642 R1647 L1648 F1649 | L1633-A1645 VanDerWaalsContact C-CB 3.43Å; L1633-A1645 HydrophobicContact CB-CB 3.49Å; L1633-A1645 VanDerWaalsContact CB-CB 3.49Å; I1634-A1645 HydrophobicContact CG1-CB 3.78Å; I1641-A1645 VanDerWaalsContact O-CB 3.29Å; I1641-A1645 WeakPolarHBondContact O-CB 3.47Å; I1641-A1645 PolarHBondContact O-N 2.85Å; R1642-A1645 PolarHBondContact O-N 2.85Å; A1645-R1647 PolarHBondContact O-N 3.43Å; A1645-L1648 PolarHBondContact O-N 3.23Å; A1645-F1649 WeakPolarHBondContact O-CB 3.36Å; A1645-F1649 PolarHBondContact O-N 2.95Å |
| 1646 | G | 67.4 | Low | 64.4 | Low | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1642 I1644 A1650 | R1642-G1646 PolarHBondContact O-N 3.38Å; I1644-G1646 PolarHBondContact O-N 2.77Å; G1646-A1650 PolarHBondContact O-N 2.79Å |
| 1647 | R | 63 | Low | 64.5 | Low | 65 Ų | 65 | 42 Ų | 42 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 175.8 | -66.7 | 176.3 | -172.6 | 174.6 | 2 | 112.3 | S1643 I1644 A1645 A1650 A1651 E1907 | S1643-R1647 WeakPolarHBondContact O-CG 3.32Å; S1643-R1647 PolarHBondContact O-N 2.66Å; I1644-R1647 PolarHBondContact O-N 2.96Å; A1645-R1647 PolarHBondContact O-N 3.43Å; R1647-A1650 PolarHBondContact O-N 3.2Å; R1647-A1651 PolarHBondContact O-N 3.35Å; R1647-E1907 HydrophobicContact CG-CB 4.46Å; R1647-E1907 IonicContact CZ-OE2 3.87Å; R1647-E1907 VanDerWaalsContact CZ-OE2 3.23Å; R1647-E1907 IonicContact NE-OE2 2.92Å; R1647-E1907 PolarHBondContact NE-OE2 3.47Å; R1647-E1907 IonicContact NH2-OE1 2.76Å; R1647-E1907 IonicContact NH2-OE2 2.98Å; R1647-E1907 PolarHBondContact NH2-OE2 3.19Å |
| 1648 | L | 62.3 | Low | 64.6 | Low | 42 Ų | 42 | 40.1 Ų | 40.1 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 178.4 | -179.3 | 58 | 0 | 0 | 0 | 111.7 | I1601 T1630 I1644 A1645 A1651 L1652 | I1601-L1648 HydrophobicContact CB-CD2 4.44Å; I1601-L1648 HydrophobicContact CD1-CD2 4.03Å; I1601-L1648 HydrophobicContact CG2-CD2 4.2Å; T1630-L1648 HydrophobicContact CG2-CD2 3.51Å; T1630-L1648 HydrophobicContact CG2-CG 3.87Å; I1644-L1648 WeakPolarHBondContact O-CB 3.37Å; I1644-L1648 PolarHBondContact O-N 3.43Å; A1645-L1648 PolarHBondContact O-N 3.23Å; L1648-A1651 PolarHBondContact O-N 3.18Å; L1648-L1652 HydrophobicContact CD1-CG 4.47Å; L1648-L1652 HydrophobicContact CG-CD1 4.33Å; L1648-L1652 WeakPolarHBondContact O-CG 3.27Å; L1648-L1652 PolarHBondContact O-N 2.87Å |
| 1649 | F | 74.7 | Confident | 64.7 | Low | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 174.2 | -179.4 | -119 | 0 | 0 | 0 | 111.8 | L1627 L1631 I1634 A1645 A1651 L1652 L1653 L1724 M1905 F1908 F1953 | L1627-F1649 HydrophobicContact CD1-CD2 3.75Å; L1627-F1649 HydrophobicContact CD1-CE2 3.73Å; L1627-F1649 HydrophobicContact CG-CE2 4.42Å; L1631-F1649 HydrophobicContact CD2-CD2 3.97Å; L1631-F1649 HydrophobicContact CD2-CE2 3.44Å; L1631-F1649 VanDerWaalsContact CD2-CE2 3.44Å; L1631-F1649 HydrophobicContact CD2-CZ 3.75Å; L1631-F1649 HydrophobicContact CG-CE2 4.3Å; I1634-F1649 HydrophobicContact CD1-CB 3.91Å; I1634-F1649 HydrophobicContact CD1-CD1 3.79Å; I1634-F1649 HydrophobicContact CD1-CD2 4.47Å; I1634-F1649 HydrophobicContact CD1-CE1 4.42Å; I1634-F1649 HydrophobicContact CD1-CG 3.82Å; A1645-F1649 WeakPolarHBondContact O-CB 3.36Å; A1645-F1649 PolarHBondContact O-N 2.95Å; F1649-A1651 VanDerWaalsContact C-N 3.3Å; F1649-A1651 PolarHBondContact O-N 3.01Å; F1649-L1652 PolarHBondContact O-N 3.43Å; F1649-L1653 HydrophobicContact CZ-CD1 4.39Å; F1649-L1653 VanDerWaalsContact O-CB 3.3Å; F1649-L1653 WeakPolarHBondContact O-CB 3.46Å; F1649-L1653 PolarHBondContact O-N 3.45Å; F1649-L1724 HydrophobicContact CE1-CD2 4.37Å; F1649-L1724 HydrophobicContact CZ-CD2 4.18Å; F1649-M1905 HydrophobicContact CE1-SD 4.26Å; F1649-F1908 AromaticContact CD1-CD2 3.9Å; F1649-F1908 HydrophobicContact CD1-CD2 3.9Å; F1649-F1908 AromaticContact CD1-CE2 3.62Å; F1649-F1908 HydrophobicContact CD1-CE2 3.62Å; F1649-F1908 AromaticContact CE1-CE2 3.98Å; F1649-F1908 HydrophobicContact CE1-CE2 3.98Å; F1649-F1953 HydrophobicContact CE1-CE1 4.09Å; F1649-F1953 HydrophobicContact CE1-CE2 4.36Å; F1649-F1953 AromaticContact CE1-CZ 3.5Å; F1649-F1953 HydrophobicContact CE1-CZ 3.5Å; F1649-F1953 HydrophobicContact CZ-CE1 4.19Å; F1649-F1953 AromaticContact CZ-CZ 3.7Å; F1649-F1953 HydrophobicContact CZ-CZ 3.7Å |
| 1650 | A | 70.2 | Confident | 64.6 | Low | 10 Ų | 10 | 35.6 Ų | 35.6 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -35.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1646 R1647 N1654 F1908 L1949 | G1646-A1650 PolarHBondContact O-N 2.79Å; R1647-A1650 PolarHBondContact O-N 3.2Å; A1650-N1654 PolarHBondContact O-N 3.46Å; A1650-N1654 PolarHBondContact O-ND2 3.33Å; A1650-F1908 HydrophobicContact CB-CD2 3.79Å; A1650-F1908 HydrophobicContact CB-CE2 3.75Å; A1650-F1908 VanDerWaalsContact CB-O 3.3Å; A1650-F1908 WeakPolarHBondContact CB-O 3.43Å; A1650-L1949 HydrophobicContact CB-CD2 4.1Å |
| 1651 | A | 64.6 | Low | 64.4 | Low | 33 Ų | 33 | 34.2 Ų | 34.2 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -68 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1647 L1648 F1649 N1654 | R1647-A1651 PolarHBondContact O-N 3.35Å; L1648-A1651 PolarHBondContact O-N 3.18Å; F1649-A1651 VanDerWaalsContact C-N 3.3Å; F1649-A1651 PolarHBondContact O-N 3.01Å; A1651-N1654 PolarHBondContact O-N 3.11Å |
| 1652 | L | 69.1 | Low | 64.4 | Low | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 177.6 | -68.9 | 172.1 | 0 | 0 | 0 | 112.4 | V1623 L1626 L1627 T1630 L1648 F1649 N1654 L1655 L1656 | V1623-L1652 HydrophobicContact CG1-CD2 4.26Å; V1623-L1652 HydrophobicContact CG2-CD2 4.3Å; L1626-L1652 HydrophobicContact CB-CD1 4.2Å; L1627-L1652 HydrophobicContact CD1-CB 4.01Å; L1627-L1652 HydrophobicContact CD1-CD1 4.32Å; T1630-L1652 HydrophobicContact CG2-CD1 3.91Å; L1648-L1652 HydrophobicContact CD1-CG 4.47Å; L1648-L1652 HydrophobicContact CG-CD1 4.33Å; L1648-L1652 WeakPolarHBondContact O-CG 3.27Å; L1648-L1652 PolarHBondContact O-N 2.87Å; F1649-L1652 PolarHBondContact O-N 3.43Å; L1652-N1654 VanDerWaalsContact C-N 3.26Å; L1652-N1654 PolarHBondContact O-N 2.95Å; L1652-L1655 WeakPolarHBondContact O-CB 3.14Å; L1652-L1655 PolarHBondContact O-N 3.41Å; L1652-L1656 PolarHBondContact O-N 3.17Å |
| 1653 | L | 74.2 | Confident | 64 | Low | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -36 | -179.7 | -163.2 | 77.7 | 0 | 0 | 0 | 112.1 | F1649 L1655 L1656 L1686 F1908 L1949 F1953 | F1649-L1653 HydrophobicContact CZ-CD1 4.39Å; F1649-L1653 VanDerWaalsContact O-CB 3.3Å; F1649-L1653 WeakPolarHBondContact O-CB 3.46Å; F1649-L1653 PolarHBondContact O-N 3.45Å; L1653-L1655 PolarHBondContact O-N 3.35Å; L1653-L1656 HydrophobicContact CD1-CD1 3.72Å; L1653-L1656 HydrophobicContact CG-CD1 4.45Å; L1653-L1656 PolarHBondContact O-N 3.31Å; L1653-L1686 HydrophobicContact CD1-CD2 4Å; L1653-F1908 HydrophobicContact CD2-CE2 4.45Å; L1653-F1908 HydrophobicContact CD2-CZ 4.06Å; L1653-L1949 HydrophobicContact CB-CD2 4.48Å; L1653-L1949 HydrophobicContact CD2-CD2 4.08Å; L1653-F1953 HydrophobicContact CD2-CE2 3.92Å; L1653-F1953 HydrophobicContact CD2-CZ 4.27Å |
| 1654 | N | 68.3 | Low | 64 | Low | 44 Ų | 44 | 40.7 Ų | 40.7 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | 175.3 | -85.2 | -72.2 | 0 | 0 | 0 | 114.2 | A1650 A1651 L1652 K1945 L1949 | A1650-N1654 PolarHBondContact O-N 3.46Å; A1650-N1654 PolarHBondContact O-ND2 3.33Å; A1651-N1654 PolarHBondContact O-N 3.11Å; L1652-N1654 VanDerWaalsContact C-N 3.26Å; L1652-N1654 PolarHBondContact O-N 2.95Å; N1654-K1945 WeakPolarHBondContact OD1-CE 3.09Å; N1654-L1949 WeakPolarHBondContact ND2-CD2 3.44Å |
| 1655 | L | 67.6 | Low | 64.1 | Low | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -17.7 | -177 | -62.5 | 170.2 | 0 | 0 | 0 | 113.2 | L1616 L1620 V1623 L1652 L1653 P1657 L1658 | L1616-L1655 HydrophobicContact CB-CD1 4.15Å; L1616-L1655 HydrophobicContact CB-CD2 4.35Å; L1616-L1655 HydrophobicContact CD1-CD1 4Å; L1616-L1655 HydrophobicContact CD1-CD2 4.31Å; L1616-L1655 HydrophobicContact CD2-CD1 3.88Å; L1616-L1655 HydrophobicContact CG-CD1 4.23Å; L1620-L1655 HydrophobicContact CD1-CB 3.97Å; L1620-L1655 HydrophobicContact CD1-CD2 4.33Å; V1623-L1655 HydrophobicContact CG2-CB 4.41Å; V1623-L1655 HydrophobicContact CG2-CD1 4.37Å; L1652-L1655 WeakPolarHBondContact O-CB 3.14Å; L1652-L1655 PolarHBondContact O-N 3.41Å; L1653-L1655 PolarHBondContact O-N 3.35Å; L1655-P1657 VanDerWaalsContact C-CD 3.47Å; L1655-L1658 HydrophobicContact CD2-CD1 4.46Å; L1655-L1658 WeakPolarHBondContact O-CB 3.12Å; L1655-L1658 PolarHBondContact O-N 3.49Å; L1655-L1658 VanDerWaalsContact O-N 3.13Å |
| 1656 | L | 68.3 | Low | 63.5 | Low | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.1 | -43.8 | -176.1 | -67.3 | 175.9 | 0 | 0 | 0 | 114.7 | V1623 L1627 L1652 L1653 L1658 E1659 I1683 | V1623-L1656 HydrophobicContact CG1-CD2 3.72Å; L1627-L1656 HydrophobicContact CD2-CD2 4.35Å; L1652-L1656 PolarHBondContact O-N 3.17Å; L1653-L1656 HydrophobicContact CD1-CD1 3.72Å; L1653-L1656 HydrophobicContact CG-CD1 4.45Å; L1653-L1656 PolarHBondContact O-N 3.31Å; L1656-L1658 PolarHBondContact O-N 2.9Å; L1656-L1658 VanDerWaalsContact O-N 3.07Å; L1656-E1659 WeakPolarHBondContact O-CB 3.22Å; L1656-E1659 PolarHBondContact O-N 3.37Å; L1656-E1659 VanDerWaalsContact O-N 3.1Å; L1656-I1683 HydrophobicContact CD1-CG2 4.21Å; L1656-I1683 HydrophobicContact CD2-CD1 3.76Å; L1656-I1683 HydrophobicContact CD2-CG1 4.15Å; L1656-I1683 HydrophobicContact CD2-CG2 4.14Å |
| 1657 | P | 63.4 | Low | 63 | Low | 69 Ų | 69 | 54.2 Ų | 54.2 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -24.6 | -178.1 | -24.4 | 35.6 | 0 | 0 | 0 | 113.8 | L1655 S1660 | L1655-P1657 VanDerWaalsContact C-CD 3.47Å; P1657-S1660 PolarHBondContact O-OG 3.25Å |
| 1658 | L | 58.4 | Low | 62.9 | Low | 76 Ų | 76 | 51.3 Ų | 51.3 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -80.4 | -25.8 | -178.5 | -60.5 | 168 | 0 | 0 | 0 | 112.2 | L1620 L1655 L1656 S1660 S1661 | L1620-L1658 HydrophobicContact CD1-CB 4.19Å; L1620-L1658 HydrophobicContact CD2-CB 3.71Å; L1655-L1658 HydrophobicContact CD2-CD1 4.46Å; L1655-L1658 WeakPolarHBondContact O-CB 3.12Å; L1655-L1658 PolarHBondContact O-N 3.49Å; L1655-L1658 VanDerWaalsContact O-N 3.13Å; L1656-L1658 PolarHBondContact O-N 2.9Å; L1656-L1658 VanDerWaalsContact O-N 3.07Å; L1658-S1660 PolarHBondContact O-N 3.32Å; L1658-S1661 PolarHBondContact O-N 3.16Å; L1658-S1661 PolarHBondContact O-OG 3.4Å |
| 1659 | E | 60.3 | Low | 63 | Low | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -32 | -177.5 | -163.6 | -138.3 | 148.2 | 0 | 0 | 112.1 | V1624 L1656 S1661 I1662 R1676 R1680 | V1624-E1659 VanDerWaalsContact CG2-CD 3.43Å; V1624-E1659 WeakPolarHBondContact CG2-OE1 3.48Å; V1624-E1659 WeakPolarHBondContact CG2-OE2 3.48Å; L1656-E1659 WeakPolarHBondContact O-CB 3.22Å; L1656-E1659 PolarHBondContact O-N 3.37Å; L1656-E1659 VanDerWaalsContact O-N 3.1Å; E1659-S1661 PolarHBondContact O-N 3.02Å; E1659-I1662 PolarHBondContact O-N 3.2Å; E1659-R1676 IonicContact OE1-CZ 3.97Å; E1659-R1676 IonicContact OE1-NE 2.74Å; E1659-R1676 PolarHBondContact OE1-NE 3.01Å; E1659-R1676 IonicContact OE1-NH2 2.67Å; E1659-R1676 PolarHBondContact OE1-NH2 3.15Å; E1659-R1680 IonicContact OE1-CZ 3.94Å; E1659-R1680 IonicContact OE1-NH1 2.94Å; E1659-R1680 PolarHBondContact OE1-NH1 3.16Å; E1659-R1680 IonicContact OE2-NH1 2.74Å |
| 1660 | S | 60.2 | Low | 62.6 | Low | 92 Ų | 92 | 58.3 Ų | 58.3 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.5 | 178.6 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | P1657 L1658 | P1657-S1660 PolarHBondContact O-OG 3.25Å; L1658-S1660 PolarHBondContact O-N 3.32Å |
| 1661 | S | 55.2 | Low | 62.3 | Low | 57 Ų | 57 | 63.5 Ų | 63.5 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3.5 | -176.3 | 70 | 0 | 0 | 0 | 0 | 115.4 | L1658 E1659 | L1658-S1661 PolarHBondContact O-N 3.16Å; L1658-S1661 PolarHBondContact O-OG 3.4Å; E1659-S1661 PolarHBondContact O-N 3.02Å |
| 1662 | I | 56.2 | Low | 62.2 | Low | 63 Ų | 63 | 62.5 Ų | 62.5 | 32% | 0.323 | 33% | 0.333 | S | S | . | . | trans | -114.8 | 125.5 | -172.9 | -56.1 | -158.6 | 0 | 0 | 0 | 112.1 | L1620 P1621 E1659 | L1620-I1662 HydrophobicContact CB-CD1 4.26Å; L1620-I1662 HydrophobicContact CD2-CD1 3.38Å; L1620-I1662 HydrophobicContact CD2-CG1 3.89Å; L1620-I1662 HydrophobicContact CG-CD1 4.45Å; P1621-I1662 HydrophobicContact CG-CG2 4.49Å; E1659-I1662 PolarHBondContact O-N 3.2Å | ||
| 1663 | P | 57.7 | Low | 62.2 | Low | 107 Ų | 107 | 64.6 Ų | 64.6 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 158.3 | 175.4 | 29.4 | -35.2 | 0 | 0 | 0 | 112.5 | ||
| 1664 | N | 63.4 | Low | 62 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -66 | 136.9 | 177.9 | -66.8 | -18.3 | 0 | 0 | 0 | 111.2 | E1666 R1676 | N1664-E1666 PolarHBondContact O-N 3.39Å; N1664-R1676 VanDerWaalsContact OD1-CZ 3.25Å; N1664-R1676 PolarHBondContact OD1-NH1 2.94Å; N1664-R1676 PolarHBondContact OD1-NH2 3.48Å |
| 1665 | P | 59.1 | Low | 61.9 | Low | 35 Ų | 35 | 71.6 Ų | 71.6 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 132.1 | 178.1 | -23.6 | 33.3 | 0 | 0 | 0 | 112.2 | P1621 K1667 M1668 | P1621-P1665 HydrophobicContact CB-CG 3.68Å; P1621-P1665 HydrophobicContact CG-CG 4.02Å; P1665-K1667 PolarHBondContact O-N 2.77Å; P1665-M1668 HydrophobicContact CG-CE 4.28Å; P1665-M1668 WeakPolarHBondContact O-CB 3.21Å; P1665-M1668 PolarHBondContact O-N 2.93Å; P1665-M1668 VanDerWaalsContact O-N 3.1Å |
| 1666 | E | 51.1 | Low | 61.9 | Low | 198 Ų | 198 | 70.7 Ų | 70.7 | 93% | 0.925 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.1 | -172.4 | -65 | -172.1 | 155.9 | 0 | 0 | 114.6 | N1664 | N1664-E1666 PolarHBondContact O-N 3.39Š|
| 1667 | K | 55.1 | Low | 62.1 | Low | 105 Ų | 105 | 75.8 Ų | 75.8 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -2.1 | -177 | -65.6 | 179.5 | -172.9 | 163.5 | 0 | 114.9 | E1577 P1665 K1669 | E1577-K1667 PolarHBondContact O-NZ 3.22Å; P1665-K1667 PolarHBondContact O-N 2.77Å; K1667-K1669 PolarHBondContact O-N 3.47Å |
| 1668 | M | 61.7 | Low | 62.4 | Low | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.02 | 40% | 0.4 | C | S | . | . | trans | -63.7 | 123.3 | -177 | -175.9 | 174.9 | -80.2 | 0 | 0 | 110.6 | E1584 Y1622 P1665 F1672 K1673 | E1584-M1668 VanDerWaalsContact OE2-CA 3.3Å; E1584-M1668 WeakPolarHBondContact OE2-CA 3.19Å; Y1622-M1668 HydrophobicContact CD1-CE 4.31Å; Y1622-M1668 HydrophobicContact CE1-CE 3.78Å; P1665-M1668 HydrophobicContact CG-CE 4.28Å; P1665-M1668 WeakPolarHBondContact O-CB 3.21Å; P1665-M1668 PolarHBondContact O-N 2.93Å; P1665-M1668 VanDerWaalsContact O-N 3.1Å; M1668-F1672 HydrophobicContact CG-CB 3.76Å; M1668-F1672 HydrophobicContact SD-CB 4.15Å; M1668-K1673 HydrophobicContact CB-CG 4.47Å; M1668-K1673 HydrophobicContact CG-CG 4.06Å; M1668-K1673 WeakPolarHBondContact O-CE 3.27Å; M1668-K1673 HydrophobicContact SD-CG 4.05Å | ||
| 1669 | K | 64.9 | Low | 63 | Low | 78 Ų | 78 | 73.8 Ų | 73.8 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | trans | -56.8 | 146.1 | 175.3 | -63.6 | 177.3 | 177.4 | 179.8 | 0 | 111 | E1584 K1667 E1671 F1672 K1673 | E1584-K1669 HydrophobicContact CB-CD 4.12Å; E1584-K1669 HydrophobicContact CB-CG 4.3Å; E1584-K1669 WeakPolarHBondContact O-CE 3.31Å; E1584-K1669 PolarHBondContact O-NZ 3.36Å; E1584-K1669 PolarHBondContact OE2-N 3.11Å; K1667-K1669 PolarHBondContact O-N 3.47Å; K1669-E1671 PolarHBondContact O-N 3.25Å; K1669-F1672 HydrophobicContact CB-CD2 4.16Å; K1669-F1672 HydrophobicContact CD-CD2 4.49Å; K1669-F1672 HydrophobicContact CD-CE2 4.45Å; K1669-F1672 PolarHBondContact O-N 3.37Å; K1669-K1673 PolarHBondContact O-N 3.47Å | ||
| 1670 | E | 66.7 | Low | 63.7 | Low | 112 Ų | 112 | 77.1 Ų | 77.1 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.3 | -33.6 | -176.7 | -152.3 | 58.8 | -145 | 0 | 0 | 113.1 | F1672 K1673 Q1674 | E1670-F1672 VanDerWaalsContact C-N 3.35Å; E1670-F1672 PolarHBondContact O-N 3.2Å; E1670-K1673 WeakPolarHBondContact O-CB 3.4Å; E1670-K1673 PolarHBondContact O-N 3.34Å; E1670-K1673 WeakPolarHBondContact OE2-CD 3.5Å; E1670-K1673 WeakPolarHBondContact OE2-CE 3.14Å; E1670-K1673 IonicContact OE2-NZ 3.53Å; E1670-K1673 PolarHBondContact OE2-NZ 3.47Å; E1670-Q1674 WeakPolarHBondContact O-CG 3.37Å; E1670-Q1674 PolarHBondContact O-N 3.47Å |
| 1671 | E | 62.2 | Low | 64.3 | Low | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.6 | -44.9 | 172.5 | -63.5 | 170.6 | 169.3 | 0 | 0 | 112.2 | K1669 Q1674 I1675 | K1669-E1671 PolarHBondContact O-N 3.25Å; E1671-Q1674 PolarHBondContact O-N 2.99Å; E1671-I1675 VanDerWaalsContact O-CG1 3.29Å; E1671-I1675 WeakPolarHBondContact O-CG1 3.16Å; E1671-I1675 PolarHBondContact O-N 3.41Å |
| 1672 | F | 62.5 | Low | 65.2 | Low | 12 Ų | 12 | 74.2 Ų | 74.2 | 5% | 0.053 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72 | -30.9 | 177.8 | -75.6 | -72 | 0 | 0 | 0 | 112.8 | E1584 L1587 P1588 L1625 M1668 K1669 E1670 R1676 | E1584-F1672 HydrophobicContact CB-CD2 3.93Å; E1584-F1672 HydrophobicContact CB-CE2 3.61Å; E1584-F1672 HydrophobicContact CG-CD2 3.75Å; E1584-F1672 HydrophobicContact CG-CE2 3.81Å; E1584-F1672 WeakPolarHBondContact O-CE2 3.18Å; L1587-F1672 HydrophobicContact CB-CZ 4.14Å; L1587-F1672 HydrophobicContact CD2-CE1 4.25Å; P1588-F1672 HydrophobicContact CB-CZ 3.94Å; P1588-F1672 HydrophobicContact CG-CE2 4.35Å; P1588-F1672 HydrophobicContact CG-CZ 3.93Å; L1625-F1672 HydrophobicContact CD1-CD1 4.01Å; L1625-F1672 HydrophobicContact CD2-CD1 4.3Å; M1668-F1672 HydrophobicContact CG-CB 3.76Å; M1668-F1672 HydrophobicContact SD-CB 4.15Å; K1669-F1672 HydrophobicContact CB-CD2 4.16Å; K1669-F1672 HydrophobicContact CD-CD2 4.49Å; K1669-F1672 HydrophobicContact CD-CE2 4.45Å; K1669-F1672 PolarHBondContact O-N 3.37Å; E1670-F1672 VanDerWaalsContact C-N 3.35Å; E1670-F1672 PolarHBondContact O-N 3.2Å; F1672-R1676 WeakPolarHBondContact O-CB 3.44Å; F1672-R1676 PolarHBondContact O-N 3.5Å |
| 1673 | K | 70.8 | Confident | 65.9 | Low | 54 Ų | 54 | 71.5 Ų | 71.5 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 172.1 | -60.7 | -177 | -161.1 | 153.5 | 0 | 110.9 | M1668 K1669 E1670 R1676 L1677 | M1668-K1673 HydrophobicContact CB-CG 4.47Å; M1668-K1673 HydrophobicContact CG-CG 4.06Å; M1668-K1673 WeakPolarHBondContact O-CE 3.27Å; M1668-K1673 HydrophobicContact SD-CG 4.05Å; K1669-K1673 PolarHBondContact O-N 3.47Å; E1670-K1673 WeakPolarHBondContact O-CB 3.4Å; E1670-K1673 PolarHBondContact O-N 3.34Å; E1670-K1673 WeakPolarHBondContact OE2-CD 3.5Å; E1670-K1673 WeakPolarHBondContact OE2-CE 3.14Å; E1670-K1673 IonicContact OE2-NZ 3.53Å; E1670-K1673 PolarHBondContact OE2-NZ 3.47Å; K1673-R1676 PolarHBondContact O-N 2.91Å; K1673-L1677 WeakPolarHBondContact O-CB 3.35Å; K1673-L1677 VanDerWaalsContact O-CG 3.29Å; K1673-L1677 WeakPolarHBondContact O-CG 3.39Å; K1673-L1677 PolarHBondContact O-N 2.92Å |
| 1674 | Q | 68.5 | Low | 66.5 | Low | 130 Ų | 130 | 69 Ų | 69 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 176.8 | -69.6 | 179.9 | 4.1 | 0 | 0 | 111.9 | E1670 E1671 R1676 L1677 A1678 | E1670-Q1674 WeakPolarHBondContact O-CG 3.37Å; E1670-Q1674 PolarHBondContact O-N 3.47Å; E1671-Q1674 PolarHBondContact O-N 2.99Å; Q1674-R1676 PolarHBondContact O-N 2.89Å; Q1674-L1677 PolarHBondContact O-N 2.99Å; Q1674-A1678 PolarHBondContact O-N 2.79Å |
| 1675 | I | 66.6 | Low | 67.2 | Low | 73 Ų | 73 | 65.9 Ų | 65.9 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 176 | -64 | 164.8 | 0 | 0 | 0 | 110.9 | L1625 E1671 A1678 Q1679 | L1625-I1675 HydrophobicContact CD2-CB 4.13Å; L1625-I1675 HydrophobicContact CD2-CG2 3.65Å; E1671-I1675 VanDerWaalsContact O-CG1 3.29Å; E1671-I1675 WeakPolarHBondContact O-CG1 3.16Å; E1671-I1675 PolarHBondContact O-N 3.41Å; I1675-A1678 PolarHBondContact O-N 3.37Å; I1675-Q1679 HydrophobicContact CG2-CG 4.4Å; I1675-Q1679 WeakPolarHBondContact O-CB 3.29Å; I1675-Q1679 WeakPolarHBondContact O-CG 3.4Å; I1675-Q1679 PolarHBondContact O-N 3.09Å |
| 1676 | R | 68.9 | Low | 67.9 | Low | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -41 | 177.3 | 178.6 | 166.9 | 174.2 | -150.7 | -7.7 | 112.2 | P1621 V1624 L1625 E1659 N1664 F1672 K1673 Q1674 Q1679 R1680 | P1621-R1676 PolarHBondContact O-NE 2.99Å; P1621-R1676 PolarHBondContact O-NH1 2.69Å; V1624-R1676 HydrophobicContact CB-CG 4Å; V1624-R1676 HydrophobicContact CG1-CG 4.07Å; V1624-R1676 WeakPolarHBondContact CG1-O 3.3Å; V1624-R1676 HydrophobicContact CG2-CG 4.25Å; L1625-R1676 HydrophobicContact CD2-CB 4.14Å; L1625-R1676 HydrophobicContact CG-CB 4.36Å; E1659-R1676 IonicContact OE1-CZ 3.97Å; E1659-R1676 IonicContact OE1-NE 2.74Å; E1659-R1676 PolarHBondContact OE1-NE 3.01Å; E1659-R1676 IonicContact OE1-NH2 2.67Å; E1659-R1676 PolarHBondContact OE1-NH2 3.15Å; N1664-R1676 VanDerWaalsContact OD1-CZ 3.25Å; N1664-R1676 PolarHBondContact OD1-NH1 2.94Å; N1664-R1676 PolarHBondContact OD1-NH2 3.48Å; F1672-R1676 WeakPolarHBondContact O-CB 3.44Å; F1672-R1676 PolarHBondContact O-N 3.5Å; K1673-R1676 PolarHBondContact O-N 2.91Å; Q1674-R1676 PolarHBondContact O-N 2.89Å; R1676-Q1679 PolarHBondContact O-N 3.17Å; R1676-R1680 VanDerWaalsContact O-CB 3.25Å; R1676-R1680 WeakPolarHBondContact O-CB 3.04Å; R1676-R1680 PolarHBondContact O-N 3.32Å |
| 1677 | L | 71.9 | Confident | 68.8 | Low | 116 Ų | 116 | 58.9 Ų | 58.9 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 175.4 | -74.8 | 168 | 0 | 0 | 0 | 111.4 | K1673 Q1674 Q1679 R1680 E1681 | K1673-L1677 WeakPolarHBondContact O-CB 3.35Å; K1673-L1677 VanDerWaalsContact O-CG 3.29Å; K1673-L1677 WeakPolarHBondContact O-CG 3.39Å; K1673-L1677 PolarHBondContact O-N 2.92Å; Q1674-L1677 PolarHBondContact O-N 2.99Å; L1677-Q1679 VanDerWaalsContact C-N 3.31Å; L1677-Q1679 PolarHBondContact O-N 3.34Å; L1677-R1680 PolarHBondContact O-N 2.85Å; L1677-E1681 PolarHBondContact O-N 2.75Å |
| 1678 | A | 69.2 | Low | 69.6 | Low | 65 Ų | 65 | 58 Ų | 58 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1674 I1675 | Q1674-A1678 PolarHBondContact O-N 2.79Å; I1675-A1678 PolarHBondContact O-N 3.37Å |
| 1679 | Q | 71.8 | Confident | 70 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -83.3 | -17.7 | 176.9 | -71.6 | 174.7 | -12.5 | 0 | 0 | 113.5 | V1624 L1625 T1628 I1675 R1676 L1677 F1682 | V1624-Q1679 HydrophobicContact CG1-CB 3.55Å; V1624-Q1679 PolarHBondContact O-OE1 3.19Å; L1625-Q1679 VanDerWaalsContact CA-OE1 3.31Å; T1628-Q1679 WeakPolarHBondContact OG1-CG 3.22Å; I1675-Q1679 HydrophobicContact CG2-CG 4.4Å; I1675-Q1679 WeakPolarHBondContact O-CB 3.29Å; I1675-Q1679 WeakPolarHBondContact O-CG 3.4Å; I1675-Q1679 PolarHBondContact O-N 3.09Å; R1676-Q1679 PolarHBondContact O-N 3.17Å; L1677-Q1679 VanDerWaalsContact C-N 3.31Å; L1677-Q1679 PolarHBondContact O-N 3.34Å; Q1679-F1682 WeakPolarHBondContact O-CB 3.2Å; Q1679-F1682 PolarHBondContact O-N 3.49Å |
| 1680 | R | 73.3 | Confident | 70.2 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.5 | -29.4 | 172.9 | -172.6 | 163.4 | 172.1 | 149 | -11.9 | 112 | V1624 E1659 R1676 L1677 F1682 I1683 D1684 | V1624-R1680 HydrophobicContact CG1-CB 4.3Å; E1659-R1680 IonicContact OE1-CZ 3.94Å; E1659-R1680 IonicContact OE1-NH1 2.94Å; E1659-R1680 PolarHBondContact OE1-NH1 3.16Å; E1659-R1680 IonicContact OE2-NH1 2.74Å; R1676-R1680 VanDerWaalsContact O-CB 3.25Å; R1676-R1680 WeakPolarHBondContact O-CB 3.04Å; R1676-R1680 PolarHBondContact O-N 3.32Å; L1677-R1680 PolarHBondContact O-N 2.85Å; R1680-F1682 PolarHBondContact O-N 3.36Å; R1680-I1683 PolarHBondContact O-N 3.41Å; R1680-D1684 PolarHBondContact O-N 2.83Å |
| 1681 | E | 73.2 | Confident | 70.5 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.4 | -38.4 | 169.4 | -166.6 | -172.4 | 170 | 0 | 0 | 111.8 | L1677 I1683 N1685 Q1693 | L1677-E1681 PolarHBondContact O-N 2.75Å; E1681-I1683 PolarHBondContact O-N 3.07Å; E1681-N1685 VanDerWaalsContact O-CB 3.24Å; E1681-N1685 WeakPolarHBondContact O-CB 3.31Å; E1681-N1685 PolarHBondContact O-N 3.36Å; E1681-N1685 PolarHBondContact O-ND2 2.93Å; E1681-Q1693 PolarHBondContact OE1-NE2 3.23Å |
| 1682 | F | 73.9 | Confident | 71.4 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.6 | 164 | -104.9 | 0 | 0 | 0 | 112.6 | L1627 L1631 Q1679 R1680 L1686 F1718 Y1722 L1724 | L1627-F1682 HydrophobicContact CD2-CD1 3.98Å; L1627-F1682 HydrophobicContact CD2-CE1 3.62Å; L1627-F1682 HydrophobicContact CG-CE1 4.11Å; L1631-F1682 HydrophobicContact CD1-CD1 4.41Å; L1631-F1682 HydrophobicContact CD1-CE1 3.64Å; L1631-F1682 HydrophobicContact CD1-CE2 4.16Å; L1631-F1682 HydrophobicContact CD1-CZ 3.49Å; L1631-F1682 VanDerWaalsContact CD1-CZ 3.49Å; L1631-F1682 HydrophobicContact CD2-CZ 4.46Å; Q1679-F1682 WeakPolarHBondContact O-CB 3.2Å; Q1679-F1682 PolarHBondContact O-N 3.49Å; R1680-F1682 PolarHBondContact O-N 3.36Å; F1682-L1686 HydrophobicContact CE1-CD2 4.15Å; F1682-L1686 HydrophobicContact CZ-CD2 3.93Å; F1682-L1686 VanDerWaalsContact O-CB 3.25Å; F1682-L1686 WeakPolarHBondContact O-CB 3.34Å; F1682-L1686 PolarHBondContact O-N 3.48Å; F1682-F1718 AromaticContact CD2-CE2 3.71Å; F1682-F1718 HydrophobicContact CD2-CE2 3.71Å; F1682-F1718 AromaticContact CD2-CZ 3.49Å; F1682-F1718 HydrophobicContact CD2-CZ 3.49Å; F1682-F1718 VanDerWaalsContact CD2-CZ 3.49Å; F1682-F1718 HydrophobicContact CE2-CE1 4.15Å; F1682-F1718 HydrophobicContact CE2-CE2 4.12Å; F1682-F1718 AromaticContact CE2-CZ 3.47Å; F1682-F1718 HydrophobicContact CE2-CZ 3.47Å; F1682-F1718 VanDerWaalsContact CE2-CZ 3.47Å; F1682-Y1722 HydrophobicContact CB-CE1 3.87Å; F1682-Y1722 AromaticContact CD2-CD1 3.44Å; F1682-Y1722 HydrophobicContact CD2-CD1 3.44Å; F1682-Y1722 VanDerWaalsContact CD2-CD1 3.44Å; F1682-Y1722 AromaticContact CD2-CD2 3.54Å; F1682-Y1722 HydrophobicContact CD2-CD2 3.54Å; F1682-Y1722 AromaticContact CD2-CE1 3.45Å; F1682-Y1722 HydrophobicContact CD2-CE1 3.45Å; F1682-Y1722 VanDerWaalsContact CD2-CE1 3.45Å; F1682-Y1722 AromaticContact CD2-CE2 3.59Å; F1682-Y1722 HydrophobicContact CD2-CE2 3.59Å; F1682-Y1722 AromaticContact CD2-CG 3.49Å; F1682-Y1722 HydrophobicContact CD2-CG 3.49Å; F1682-Y1722 VanDerWaalsContact CD2-CG 3.49Å; F1682-Y1722 AromaticContact CD2-CZ 3.53Å; F1682-Y1722 AromaticContact CE2-CD1 3.76Å; F1682-Y1722 HydrophobicContact CE2-CD1 3.76Å; F1682-Y1722 AromaticContact CE2-CD2 3.77Å; F1682-Y1722 HydrophobicContact CE2-CD2 3.77Å; F1682-Y1722 HydrophobicContact CE2-CE1 4.25Å; F1682-Y1722 HydrophobicContact CE2-CE2 4.29Å; F1682-Y1722 AromaticContact CE2-CG 3.49Å; F1682-Y1722 HydrophobicContact CE2-CG 3.49Å; F1682-Y1722 VanDerWaalsContact CE2-CG 3.49Å; F1682-Y1722 HydrophobicContact CG-CD1 4.08Å; F1682-Y1722 AromaticContact CG-CE1 3.82Å; F1682-Y1722 HydrophobicContact CG-CE1 3.82Å; F1682-L1724 HydrophobicContact CE2-CD1 3.99Å; F1682-L1724 HydrophobicContact CZ-CD1 4.02Å |
| 1683 | I | 70.5 | Confident | 72 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.1 | -44.9 | -179.3 | -67.9 | 160.9 | 0 | 0 | 0 | 110.9 | V1624 L1627 L1656 R1680 E1681 N1685 L1686 L1687 | V1624-I1683 HydrophobicContact CB-CD1 4.05Å; V1624-I1683 HydrophobicContact CG1-CD1 3.83Å; V1624-I1683 HydrophobicContact CG2-CD1 3.7Å; L1627-I1683 HydrophobicContact CD2-CD1 3.84Å; L1627-I1683 HydrophobicContact CD2-CG1 3.55Å; L1656-I1683 HydrophobicContact CD1-CG2 4.21Å; L1656-I1683 HydrophobicContact CD2-CD1 3.76Å; L1656-I1683 HydrophobicContact CD2-CG1 4.15Å; L1656-I1683 HydrophobicContact CD2-CG2 4.14Å; R1680-I1683 PolarHBondContact O-N 3.41Å; E1681-I1683 PolarHBondContact O-N 3.07Å; I1683-N1685 VanDerWaalsContact C-N 3.28Å; I1683-N1685 PolarHBondContact O-N 3.02Å; I1683-L1686 PolarHBondContact O-N 3.12Å; I1683-L1687 HydrophobicContact CG2-CD1 3.88Å; I1683-L1687 HydrophobicContact CG2-CG 4.47Å; I1683-L1687 WeakPolarHBondContact O-CG 3.44Å; I1683-L1687 PolarHBondContact O-N 2.86Å |
| 1684 | D | 72.2 | Confident | 72.4 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 177.7 | -74.3 | -25.1 | 0 | 0 | 0 | 111.1 | R1680 H1688 | R1680-D1684 PolarHBondContact O-N 2.83Å; D1684-H1688 WeakPolarHBondContact O-CB 3.46Å; D1684-H1688 PolarHBondContact O-N 3.46Å |
| 1685 | N | 76.8 | Confident | 73.1 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.8 | -29.8 | 174.3 | -71.4 | -18 | 0 | 0 | 0 | 113.7 | E1681 I1683 R1691 I1692 F1718 | E1681-N1685 VanDerWaalsContact O-CB 3.24Å; E1681-N1685 WeakPolarHBondContact O-CB 3.31Å; E1681-N1685 PolarHBondContact O-N 3.36Å; E1681-N1685 PolarHBondContact O-ND2 2.93Å; I1683-N1685 VanDerWaalsContact C-N 3.28Å; I1683-N1685 PolarHBondContact O-N 3.02Å; N1685-R1691 WeakPolarHBondContact OD1-CB 3.28Å; N1685-R1691 PolarHBondContact OD1-O 3.18Å; N1685-I1692 HydrophobicContact CB-CG1 4.11Å; N1685-F1718 HydrophobicContact CB-CD2 4.19Å; N1685-F1718 HydrophobicContact CB-CE2 3.59Å; N1685-F1718 HydrophobicContact CB-CZ 4.15Å |
| 1686 | L | 75 | Confident | 73.8 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 175.9 | -177.9 | 65.5 | 0 | 0 | 0 | 112.1 | L1653 F1682 I1683 F1718 L1724 P1952 F1953 | L1653-L1686 HydrophobicContact CD1-CD2 4Å; F1682-L1686 HydrophobicContact CE1-CD2 4.15Å; F1682-L1686 HydrophobicContact CZ-CD2 3.93Å; F1682-L1686 VanDerWaalsContact O-CB 3.25Å; F1682-L1686 WeakPolarHBondContact O-CB 3.34Å; F1682-L1686 PolarHBondContact O-N 3.48Å; I1683-L1686 PolarHBondContact O-N 3.12Å; L1686-F1718 HydrophobicContact CB-CE1 4.29Å; L1686-F1718 HydrophobicContact CB-CZ 3.95Å; L1686-F1718 HydrophobicContact CD1-CE1 3.89Å; L1686-F1718 HydrophobicContact CD1-CZ 4.32Å; L1686-L1724 HydrophobicContact CD1-CD1 4.27Å; L1686-P1952 HydrophobicContact CD1-CB 3.89Å; L1686-P1952 HydrophobicContact CG-CB 4.01Å; L1686-F1953 HydrophobicContact CD1-CE1 4.32Å |
| 1687 | L | 69.9 | Low | 74.4 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -88.4 | -30.4 | -178.9 | -67 | 174.3 | 0 | 0 | 0 | 113.2 | I1683 | I1683-L1687 HydrophobicContact CG2-CD1 3.88Å; I1683-L1687 HydrophobicContact CG2-CG 4.47Å; I1683-L1687 WeakPolarHBondContact O-CG 3.44Å; I1683-L1687 PolarHBondContact O-N 2.86Å |
| 1688 | H | 70.6 | Confident | 74.5 | Confident | 86 Ų | 86 | 64 Ų | 64 | 40% | 0.398 | 33% | 0.334 | S | S | . | . | trans | -123.8 | 93 | 179 | -62.3 | -67.5 | 0 | 0 | 0 | 110.3 | D1684 D1690 R1691 | D1684-H1688 WeakPolarHBondContact O-CB 3.46Å; D1684-H1688 PolarHBondContact O-N 3.46Å; H1688-D1690 PolarHBondContact O-N 2.83Å; H1688-D1690 VanDerWaalsContact O-N 3.12Å; H1688-R1691 HydrophobicContact CB-CG 4.08Å; H1688-R1691 PolarHBondContact O-N 3.44Å | ||
| 1689 | P | 69.9 | Low | 75 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -60.2 | -25.9 | -177 | 24.3 | -33.7 | 0 | 0 | 0 | 113 | R1691 I1692 | P1689-R1691 PolarHBondContact O-N 3.04Å; P1689-R1691 VanDerWaalsContact O-N 3.12Å; P1689-I1692 HydrophobicContact CB-CD1 4.15Å; P1689-I1692 WeakPolarHBondContact O-CB 3.33Å; P1689-I1692 VanDerWaalsContact O-CG1 3.28Å; P1689-I1692 WeakPolarHBondContact O-CG1 3.41Å; P1689-I1692 PolarHBondContact O-N 3.49Å; P1689-I1692 VanDerWaalsContact O-N 3.14Å |
| 1690 | D | 69.5 | Low | 75.3 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 79% | 0.791 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -61.3 | -17.6 | 176.7 | -41 | -34.6 | 0 | 0 | 0 | 113.7 | H1688 | H1688-D1690 PolarHBondContact O-N 2.83Å; H1688-D1690 VanDerWaalsContact O-N 3.12Å |
| 1691 | R | 74.1 | Confident | 75.7 | Confident | 143 Ų | 143 | 66.3 Ų | 66.3 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -93.2 | -7.5 | 179.8 | -62.2 | -174.5 | -178.4 | 175.3 | 3.9 | 114 | N1685 H1688 P1689 Q1693 | N1685-R1691 WeakPolarHBondContact OD1-CB 3.28Å; N1685-R1691 PolarHBondContact OD1-O 3.18Å; H1688-R1691 HydrophobicContact CB-CG 4.08Å; H1688-R1691 PolarHBondContact O-N 3.44Å; P1689-R1691 PolarHBondContact O-N 3.04Å; P1689-R1691 VanDerWaalsContact O-N 3.12Å; R1691-Q1693 PolarHBondContact O-N 3.42Å |
| 1692 | I | 80.1 | Confident | 76 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.092 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -63.9 | 128.2 | -175.2 | -63.2 | 172.1 | 0 | 0 | 0 | 110.4 | N1685 P1689 S1694 N1714 W1715 F1718 | N1685-I1692 HydrophobicContact CB-CG1 4.11Å; P1689-I1692 HydrophobicContact CB-CD1 4.15Å; P1689-I1692 WeakPolarHBondContact O-CB 3.33Å; P1689-I1692 VanDerWaalsContact O-CG1 3.28Å; P1689-I1692 WeakPolarHBondContact O-CG1 3.41Å; P1689-I1692 PolarHBondContact O-N 3.49Å; P1689-I1692 VanDerWaalsContact O-N 3.14Å; I1692-S1694 PolarHBondContact O-N 2.82Å; I1692-N1714 HydrophobicContact CG2-CB 4Å; I1692-W1715 HydrophobicContact CD1-CB 4.24Å; I1692-W1715 HydrophobicContact CD1-CG 4.38Å; I1692-F1718 HydrophobicContact CD1-CB 4.14Å; I1692-F1718 HydrophobicContact CD1-CD1 4.3Å; I1692-F1718 HydrophobicContact CD1-CG 4.11Å; I1692-F1718 HydrophobicContact CG1-CD2 4.5Å; I1692-F1718 HydrophobicContact CG1-CG 4.47Å; I1692-F1718 HydrophobicContact CG2-CB 3.91Å; I1692-F1718 HydrophobicContact CG2-CG 4.49Å |
| 1693 | Q | 75.9 | Confident | 76 | Confident | 105 Ų | 105 | 68.3 Ų | 68.3 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 137.7 | 178 | -61.1 | -177.6 | -1 | 0 | 0 | 111.6 | E1681 R1691 Y1695 | E1681-Q1693 PolarHBondContact OE1-NE2 3.23Å; R1691-Q1693 PolarHBondContact O-N 3.42Å; Q1693-Y1695 PolarHBondContact O-N 2.96Å |
| 1694 | S | 79.3 | Confident | 76.6 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 60% | 0.601 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 123.4 | -180 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | I1692 N1696 | I1692-S1694 PolarHBondContact O-N 2.82Å; S1694-N1696 PolarHBondContact O-N 3.11Å |
| 1695 | Y | 83.2 | Confident | 77.2 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 12% | 0.122 | 40% | 0.395 | C | S | . | . | trans | -87.3 | 108.7 | 179.2 | 178.8 | -112.7 | 0 | 0 | 0 | 111 | Q1693 L1697 P1698 Q1710 V1713 N1714 C1717 E1750 | Q1693-Y1695 PolarHBondContact O-N 2.96Å; Y1695-L1697 HydrophobicContact CD1-CD2 4.2Å; Y1695-L1697 HydrophobicContact CD1-CG 4.2Å; Y1695-L1697 HydrophobicContact CE1-CD2 3.73Å; Y1695-L1697 HydrophobicContact CE1-CG 4.13Å; Y1695-L1697 PolarHBondContact O-N 3.23Å; Y1695-P1698 WeakPolarHBondContact OH-CD 3.33Å; Y1695-Q1710 PolarHBondContact O-NE2 3.35Å; Y1695-V1713 HydrophobicContact CD1-CG1 3.99Å; Y1695-N1714 PolarHBondContact N-OD1 3.22Å; Y1695-C1717 HydrophobicContact CD1-CB 4.07Å; Y1695-C1717 HydrophobicContact CD2-CB 4.15Å; Y1695-C1717 WeakPolarHBondContact CD2-SG 3.48Å; Y1695-C1717 VanDerWaalsContact CE2-SG 3.56Å; Y1695-C1717 HydrophobicContact CG-CB 3.8Å; Y1695-C1717 VanDerWaalsContact CG-SG 3.55Å; Y1695-E1750 WeakPolarHBondContact CE2-OE1 3.25Å; Y1695-E1750 PolarHBondContact OH-OE1 3.45Å | ||
| 1696 | N | 81.6 | Confident | 77.6 | Confident | 145 Ų | 145 | 77.7 Ų | 77.7 | 78% | 0.775 | 41% | 0.408 | S | S | * | . | trans | -76.5 | 106.1 | 172.7 | -68.2 | -32 | 0 | 0 | 0 | 109.5 | S1694 | S1694-N1696 PolarHBondContact O-N 3.11Š| ||
| 1697 | L | 80.2 | Confident | 78.1 | Confident | 38 Ų | 38 | 82.5 Ų | 82.5 | 20% | 0.199 | 44% | 0.438 | C | S | . | . | trans | -57.1 | 127 | 178.9 | -78.1 | 153.4 | 0 | 0 | 0 | 111.2 | Y1695 I1699 I1701 L1705 V1713 C1742 | Y1695-L1697 HydrophobicContact CD1-CD2 4.2Å; Y1695-L1697 HydrophobicContact CD1-CG 4.2Å; Y1695-L1697 HydrophobicContact CE1-CD2 3.73Å; Y1695-L1697 HydrophobicContact CE1-CG 4.13Å; Y1695-L1697 PolarHBondContact O-N 3.23Å; L1697-I1699 PolarHBondContact O-N 2.75Å; L1697-I1701 HydrophobicContact CD1-CD1 3.81Å; L1697-I1701 HydrophobicContact CD2-CD1 4.4Å; L1697-L1705 HydrophobicContact CD1-CD1 3.65Å; L1697-V1713 HydrophobicContact CD1-CG1 4.41Å; L1697-V1713 HydrophobicContact CD2-CG1 4.4Å; L1697-V1713 HydrophobicContact CG-CG1 4.46Å; L1697-C1742 HydrophobicContact CD1-CB 4.14Å; L1697-C1742 HydrophobicContact CD2-CB 3.95Å; L1697-C1742 WeakPolarHBondContact CD2-O 3.41Å | ||
| 1698 | P | 75.2 | Confident | 78.9 | Confident | 59 Ų | 59 | 79 Ų | 79 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -77.4 | -4.1 | -177.6 | 31.8 | -36.6 | 0 | 0 | 0 | 113.7 | Y1695 | Y1695-P1698 WeakPolarHBondContact OH-CD 3.33Š|
| 1699 | I | 78.9 | Confident | 79.7 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.077 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -117 | 144.7 | -176.1 | -65.3 | 154.7 | 0 | 0 | 0 | 109.9 | L1697 I1701 A1745 H1749 D1807 | L1697-I1699 PolarHBondContact O-N 2.75Å; I1699-I1701 PolarHBondContact O-N 3.36Å; I1699-A1745 HydrophobicContact CD1-CB 3.56Å; I1699-A1745 WeakPolarHBondContact CD1-O 3.22Å; I1699-H1749 HydrophobicContact CD1-CB 3.59Å; I1699-H1749 HydrophobicContact CG1-CB 4.02Å; I1699-D1807 HydrophobicContact CD1-CB 4.4Å; I1699-D1807 HydrophobicContact CG2-CB 4.17Å; I1699-D1807 WeakPolarHBondContact CG2-OD2 3.29Å |
| 1700 | K | 77.8 | Confident | 80.6 | Confident | 182 Ų | 182 | 74.8 Ų | 74.8 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | trans | -79.7 | 100.3 | 174 | -67.6 | -178 | -178.7 | 177 | 0 | 110.7 | ||||
| 1701 | I | 82.8 | Confident | 81.5 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | trans | -76.9 | 138.2 | 172.7 | -59.5 | -171.6 | 0 | 0 | 0 | 109.9 | L1697 I1699 G1703 L1738 C1742 F1802 | L1697-I1701 HydrophobicContact CD1-CD1 3.81Å; L1697-I1701 HydrophobicContact CD2-CD1 4.4Å; I1699-I1701 PolarHBondContact O-N 3.36Å; I1701-G1703 PolarHBondContact O-N 3.5Å; I1701-L1738 HydrophobicContact CG2-CD1 4.46Å; I1701-C1742 HydrophobicContact CD1-CB 3.94Å; I1701-C1742 WeakPolarHBondContact CD1-SG 3.45Å; I1701-F1802 WeakPolarHBondContact CA-O 3.35Å; I1701-F1802 HydrophobicContact CG2-CB 4.16Å; I1701-F1802 HydrophobicContact CG2-CD1 4.33Å | ||
| 1702 | N | 78.7 | Confident | 82.2 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -76 | 62.9 | 175.6 | -65.2 | -28.4 | 0 | 0 | 0 | 111.6 | H1801 F1802 | N1702-H1801 WeakPolarHBondContact CB-O 3.26Å; N1702-H1801 PolarHBondContact ND2-O 3.28Å; N1702-F1802 PolarHBondContact N-O 3.23Å |
| 1703 | G | 74.7 | Confident | 82.7 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 167.8 | 161.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1701 | I1701-G1703 PolarHBondContact O-N 3.5Š|
| 1704 | T | 81.7 | Confident | 83.4 | Confident | 135 Ų | 135 | 60.4 Ų | 60.4 | 83% | 0.828 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -94.1 | 130.3 | 173.4 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1705 | L | 85.4 | Confident | 83.9 | Confident | 42 Ų | 42 | 57 Ų | 57 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 139 | 172.1 | -63.6 | 175.8 | 0 | 0 | 0 | 110.1 | L1697 Q1709 V1713 L1738 | L1697-L1705 HydrophobicContact CD1-CD1 3.65Å; L1705-Q1709 HydrophobicContact CB-CB 4.3Å; L1705-Q1709 HydrophobicContact CD2-CB 4.24Å; L1705-V1713 HydrophobicContact CD1-CG2 4.46Å; L1705-L1738 HydrophobicContact CD2-CD1 4.41Å; L1705-L1738 HydrophobicContact CD2-CD2 3.76Å; L1705-L1738 HydrophobicContact CD2-CG 3.86Å |
| 1706 | R | 85.1 | Confident | 84.3 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 162.8 | 167.1 | -67.9 | -172.7 | 175.4 | 78.9 | 0.2 | 111.3 | Y1708 Q1709 Q1710 I2229 | R1706-Y1708 HydrophobicContact CB-CD1 3.86Å; R1706-Y1708 HydrophobicContact CB-CE1 3.62Å; R1706-Y1708 HydrophobicContact CG-CE1 4.15Å; R1706-Y1708 PolarHBondContact O-N 3.1Å; R1706-Q1709 HydrophobicContact CB-CB 4.47Å; R1706-Q1709 HydrophobicContact CB-CG 4.11Å; R1706-Q1709 CarbonylContact O-C 3.59Å; R1706-Q1709 WeakPolarHBondContact O-CA 3.24Å; R1706-Q1709 WeakPolarHBondContact O-CB 3.35Å; R1706-Q1709 PolarHBondContact O-N 3.15Å; R1706-Q1710 PolarHBondContact O-N 2.89Å; R1706-I2229 VanDerWaalsContact NH2-CG2 3.32Å |
| 1707 | T | 85.6 | Confident | 84.6 | Confident | 108 Ų | 108 | 49.7 Ų | 49.7 | 66% | 0.663 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -46 | -59 | 176.7 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | Q1709 Q1710 E1711 | T1707-Q1709 VanDerWaalsContact C-N 3.27Å; T1707-Q1709 PolarHBondContact O-N 3.14Å; T1707-Q1710 WeakPolarHBondContact O-CB 3.47Å; T1707-Q1710 PolarHBondContact O-N 3.46Å; T1707-Q1710 VanDerWaalsContact O-N 3.09Å; T1707-E1711 WeakPolarHBondContact O-CG 3.47Å; T1707-E1711 PolarHBondContact O-N 3.17Å |
| 1708 | Y | 86.8 | Confident | 85 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -29.5 | 178.2 | 74.1 | -93.5 | 0 | 0 | 0 | 113.3 | R1706 E1711 G1712 L1734 R1957 V1962 M1963 | R1706-Y1708 HydrophobicContact CB-CD1 3.86Å; R1706-Y1708 HydrophobicContact CB-CE1 3.62Å; R1706-Y1708 HydrophobicContact CG-CE1 4.15Å; R1706-Y1708 PolarHBondContact O-N 3.1Å; Y1708-E1711 WeakPolarHBondContact CA-OE2 3.49Å; Y1708-G1712 PolarHBondContact O-N 2.95Å; Y1708-L1734 HydrophobicContact CE2-CB 3.74Å; Y1708-L1734 HydrophobicContact CE2-CD2 3.99Å; Y1708-L1734 HydrophobicContact CE2-CG 4.36Å; Y1708-L1734 WeakPolarHBondContact CE2-O 3.34Å; Y1708-L1734 PolarHBondContact OH-O 2.83Å; Y1708-R1957 PolarHBondContact O-NH1 3.32Å; Y1708-R1957 PolarHBondContact O-NH2 3.49Å; Y1708-V1962 HydrophobicContact CD1-CG1 3.07Å; Y1708-V1962 HydrophobicContact CD2-CG1 3.91Å; Y1708-V1962 HydrophobicContact CE1-CG1 3.58Å; Y1708-V1962 HydrophobicContact CE2-CG1 4.37Å; Y1708-V1962 HydrophobicContact CG-CG1 3.25Å; Y1708-M1963 HydrophobicContact CE1-CG 4.4Å |
| 1709 | Q | 88.5 | Confident | 85.5 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.9 | -39.5 | 176.1 | -62.3 | 178.6 | -37.8 | 0 | 0 | 110.4 | L1705 R1706 T1707 G1712 V1713 L1734 Q1739 | L1705-Q1709 HydrophobicContact CB-CB 4.3Å; L1705-Q1709 HydrophobicContact CD2-CB 4.24Å; R1706-Q1709 HydrophobicContact CB-CB 4.47Å; R1706-Q1709 HydrophobicContact CB-CG 4.11Å; R1706-Q1709 CarbonylContact O-C 3.59Å; R1706-Q1709 WeakPolarHBondContact O-CA 3.24Å; R1706-Q1709 WeakPolarHBondContact O-CB 3.35Å; R1706-Q1709 PolarHBondContact O-N 3.15Å; T1707-Q1709 VanDerWaalsContact C-N 3.27Å; T1707-Q1709 PolarHBondContact O-N 3.14Å; Q1709-G1712 PolarHBondContact O-N 3.13Å; Q1709-V1713 WeakPolarHBondContact O-CG2 3.22Å; Q1709-V1713 PolarHBondContact O-N 3.12Å; Q1709-L1734 PolarHBondContact NE2-O 2.76Å; Q1709-Q1739 HydrophobicContact CB-CG 4.27Å |
| 1710 | Q | 88.5 | Confident | 85.8 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 172.7 | -176 | 62.9 | 52.2 | 0 | 0 | 111.2 | Y1695 R1706 T1707 G1712 V1713 N1714 | Y1695-Q1710 PolarHBondContact O-NE2 3.35Å; R1706-Q1710 PolarHBondContact O-N 2.89Å; T1707-Q1710 WeakPolarHBondContact O-CB 3.47Å; T1707-Q1710 PolarHBondContact O-N 3.46Å; T1707-Q1710 VanDerWaalsContact O-N 3.09Å; Q1710-G1712 VanDerWaalsContact C-N 3.28Å; Q1710-G1712 PolarHBondContact O-N 3.08Å; Q1710-V1713 CarbonylContact O-C 3.39Å; Q1710-V1713 PolarHBondContact O-N 2.75Å; Q1710-V1713 VanDerWaalsContact O-N 3.14Å; Q1710-N1714 PolarHBondContact NE2-OD1 3.35Å; Q1710-N1714 PolarHBondContact O-N 3.36Å; Q1710-N1714 PolarHBondContact O-ND2 3.07Å; Q1710-N1714 PolarHBondContact O-OD1 3.22Å; Q1710-N1714 VanDerWaalsContact O-OD1 3.11Å |
| 1711 | E | 87.2 | Confident | 86 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -41 | 173.2 | -69.6 | 155.8 | -155.4 | 0 | 0 | 112.2 | T1707 Y1708 N1714 W1715 | T1707-E1711 WeakPolarHBondContact O-CG 3.47Å; T1707-E1711 PolarHBondContact O-N 3.17Å; Y1708-E1711 WeakPolarHBondContact CA-OE2 3.49Å; E1711-N1714 WeakPolarHBondContact O-CB 3.34Å; E1711-N1714 PolarHBondContact O-N 2.72Å; E1711-W1715 PolarHBondContact O-N 2.95Å |
| 1712 | G | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1708 Q1709 Q1710 W1715 L1716 | Y1708-G1712 PolarHBondContact O-N 2.95Å; Q1709-G1712 PolarHBondContact O-N 3.13Å; Q1710-G1712 VanDerWaalsContact C-N 3.28Å; Q1710-G1712 PolarHBondContact O-N 3.08Å; G1712-W1715 PolarHBondContact O-N 3.47Å; G1712-L1716 VanDerWaalsContact O-CG 3.27Å; G1712-L1716 WeakPolarHBondContact O-CG 3.09Å; G1712-L1716 PolarHBondContact O-N 2.84Å |
| 1713 | V | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -37.9 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | Y1695 L1697 L1705 Q1709 Q1710 L1716 C1717 Q1739 C1742 | Y1695-V1713 HydrophobicContact CD1-CG1 3.99Å; L1697-V1713 HydrophobicContact CD1-CG1 4.41Å; L1697-V1713 HydrophobicContact CD2-CG1 4.4Å; L1697-V1713 HydrophobicContact CG-CG1 4.46Å; L1705-V1713 HydrophobicContact CD1-CG2 4.46Å; Q1709-V1713 WeakPolarHBondContact O-CG2 3.22Å; Q1709-V1713 PolarHBondContact O-N 3.12Å; Q1710-V1713 CarbonylContact O-C 3.39Å; Q1710-V1713 PolarHBondContact O-N 2.75Å; Q1710-V1713 VanDerWaalsContact O-N 3.14Å; V1713-L1716 PolarHBondContact O-N 2.95Å; V1713-C1717 WeakPolarHBondContact O-CB 3.47Å; V1713-C1717 PolarHBondContact O-N 2.91Å; V1713-Q1739 HydrophobicContact CG2-CB 4.17Å; V1713-Q1739 HydrophobicContact CG2-CG 4.38Å; V1713-C1742 HydrophobicContact CG1-CB 4.17Å; V1713-C1742 HydrophobicContact CG2-CB 3.62Å |
| 1714 | N | 90.6 | Very high | 85.9 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 173.7 | -61.1 | -16.9 | 0 | 0 | 0 | 110.5 | I1692 Y1695 Q1710 E1711 C1717 F1718 | I1692-N1714 HydrophobicContact CG2-CB 4Å; Y1695-N1714 PolarHBondContact N-OD1 3.22Å; Q1710-N1714 PolarHBondContact NE2-OD1 3.35Å; Q1710-N1714 PolarHBondContact O-N 3.36Å; Q1710-N1714 PolarHBondContact O-ND2 3.07Å; Q1710-N1714 PolarHBondContact O-OD1 3.22Å; Q1710-N1714 VanDerWaalsContact O-OD1 3.11Å; E1711-N1714 WeakPolarHBondContact O-CB 3.34Å; E1711-N1714 PolarHBondContact O-N 2.72Å; N1714-C1717 PolarHBondContact O-N 3.11Å; N1714-F1718 WeakPolarHBondContact O-CB 3.24Å; N1714-F1718 PolarHBondContact O-N 2.87Å |
| 1715 | W | 90 | Very high | 86.2 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.1 | -176.6 | 79.7 | 0 | 0 | 0 | 112.7 | I1692 E1711 G1712 C1717 F1718 L1719 L1955 | I1692-W1715 HydrophobicContact CD1-CB 4.24Å; I1692-W1715 HydrophobicContact CD1-CG 4.38Å; E1711-W1715 PolarHBondContact O-N 2.95Å; G1712-W1715 PolarHBondContact O-N 3.47Å; W1715-C1717 VanDerWaalsContact C-N 3.35Å; W1715-C1717 PolarHBondContact O-N 3.33Å; W1715-F1718 WeakPolarHBondContact O-CB 3.49Å; W1715-F1718 PolarHBondContact O-N 3.14Å; W1715-L1719 HydrophobicContact CD2-CD1 4.13Å; W1715-L1719 HydrophobicContact CE3-CD1 3.95Å; W1715-L1719 HydrophobicContact CH2-CD1 3.68Å; W1715-L1719 HydrophobicContact CZ2-CD1 3.84Å; W1715-L1719 HydrophobicContact CZ3-CD1 3.72Å; W1715-L1719 WeakPolarHBondContact O-CG 3.44Å; W1715-L1719 PolarHBondContact O-N 2.83Å; W1715-L1955 HydrophobicContact CB-CD2 4.1Å; W1715-L1955 HydrophobicContact CD2-CB 3.91Å; W1715-L1955 HydrophobicContact CD2-CD2 3.93Å; W1715-L1955 HydrophobicContact CD2-CG 4.47Å; W1715-L1955 HydrophobicContact CE3-CB 3.85Å; W1715-L1955 HydrophobicContact CE3-CD2 3.87Å; W1715-L1955 HydrophobicContact CG-CD2 4.05Å; W1715-L1955 HydrophobicContact CH2-CB 3.84Å; W1715-L1955 HydrophobicContact CZ2-CB 3.91Å; W1715-L1955 HydrophobicContact CZ3-CB 3.82Å |
| 1716 | L | 90.8 | Very high | 86.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 174.5 | -69.2 | 170.9 | 0 | 0 | 0 | 112.2 | G1712 V1713 L1719 N1720 Q1739 I1743 L1883 | G1712-L1716 VanDerWaalsContact O-CG 3.27Å; G1712-L1716 WeakPolarHBondContact O-CG 3.09Å; G1712-L1716 PolarHBondContact O-N 2.84Å; V1713-L1716 PolarHBondContact O-N 2.95Å; L1716-L1719 PolarHBondContact O-N 3.5Å; L1716-N1720 WeakPolarHBondContact O-CB 3.22Å; L1716-N1720 PolarHBondContact O-N 3.46Å; L1716-Q1739 HydrophobicContact CD1-CB 4.19Å; L1716-I1743 HydrophobicContact CB-CB 4.13Å; L1716-I1743 HydrophobicContact CB-CG1 4.12Å; L1716-I1743 HydrophobicContact CB-CG2 4.19Å; L1716-I1743 HydrophobicContact CD1-CG2 3.99Å; L1716-L1883 HydrophobicContact CD2-CD1 3.56Å; L1716-L1883 HydrophobicContact CD2-CD2 3.94Å; L1716-L1883 HydrophobicContact CD2-CG 4.43Å |
| 1717 | C | 88.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 12% | 0.122 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 173.5 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | Y1695 V1713 N1714 W1715 N1720 R1721 I1743 | Y1695-C1717 HydrophobicContact CD1-CB 4.07Å; Y1695-C1717 HydrophobicContact CD2-CB 4.15Å; Y1695-C1717 WeakPolarHBondContact CD2-SG 3.48Å; Y1695-C1717 VanDerWaalsContact CE2-SG 3.56Å; Y1695-C1717 HydrophobicContact CG-CB 3.8Å; Y1695-C1717 VanDerWaalsContact CG-SG 3.55Å; V1713-C1717 WeakPolarHBondContact O-CB 3.47Å; V1713-C1717 PolarHBondContact O-N 2.91Å; N1714-C1717 PolarHBondContact O-N 3.11Å; W1715-C1717 VanDerWaalsContact C-N 3.35Å; W1715-C1717 PolarHBondContact O-N 3.33Å; C1717-N1720 WeakPolarHBondContact O-CB 3.42Å; C1717-N1720 PolarHBondContact O-N 3.03Å; C1717-R1721 WeakPolarHBondContact O-CB 3.2Å; C1717-R1721 PolarHBondContact O-N 3.06Å; C1717-I1743 HydrophobicContact CB-CD1 4.11Å |
| 1718 | F | 87.7 | Confident | 86.9 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 4% | 0.044 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 173 | 172.3 | -94.3 | 0 | 0 | 0 | 111.3 | F1682 N1685 L1686 I1692 N1714 W1715 N1720 R1721 Y1722 | F1682-F1718 AromaticContact CD2-CE2 3.71Å; F1682-F1718 HydrophobicContact CD2-CE2 3.71Å; F1682-F1718 AromaticContact CD2-CZ 3.49Å; F1682-F1718 HydrophobicContact CD2-CZ 3.49Å; F1682-F1718 VanDerWaalsContact CD2-CZ 3.49Å; F1682-F1718 HydrophobicContact CE2-CE1 4.15Å; F1682-F1718 HydrophobicContact CE2-CE2 4.12Å; F1682-F1718 AromaticContact CE2-CZ 3.47Å; F1682-F1718 HydrophobicContact CE2-CZ 3.47Å; F1682-F1718 VanDerWaalsContact CE2-CZ 3.47Å; N1685-F1718 HydrophobicContact CB-CD2 4.19Å; N1685-F1718 HydrophobicContact CB-CE2 3.59Å; N1685-F1718 HydrophobicContact CB-CZ 4.15Å; L1686-F1718 HydrophobicContact CB-CE1 4.29Å; L1686-F1718 HydrophobicContact CB-CZ 3.95Å; L1686-F1718 HydrophobicContact CD1-CE1 3.89Å; L1686-F1718 HydrophobicContact CD1-CZ 4.32Å; I1692-F1718 HydrophobicContact CD1-CB 4.14Å; I1692-F1718 HydrophobicContact CD1-CD1 4.3Å; I1692-F1718 HydrophobicContact CD1-CG 4.11Å; I1692-F1718 HydrophobicContact CG1-CD2 4.5Å; I1692-F1718 HydrophobicContact CG1-CG 4.47Å; I1692-F1718 HydrophobicContact CG2-CB 3.91Å; I1692-F1718 HydrophobicContact CG2-CG 4.49Å; N1714-F1718 WeakPolarHBondContact O-CB 3.24Å; N1714-F1718 PolarHBondContact O-N 2.87Å; W1715-F1718 WeakPolarHBondContact O-CB 3.49Å; W1715-F1718 PolarHBondContact O-N 3.14Å; F1718-N1720 VanDerWaalsContact C-N 3.34Å; F1718-N1720 PolarHBondContact O-N 3.49Å; F1718-R1721 PolarHBondContact O-N 3.05Å; F1718-Y1722 AromaticContact CD2-CD2 3.81Å; F1718-Y1722 HydrophobicContact CD2-CD2 3.81Å; F1718-Y1722 AromaticContact CD2-CE2 3.63Å; F1718-Y1722 HydrophobicContact CD2-CE2 3.63Å; F1718-Y1722 AromaticContact CE2-CD2 3.69Å; F1718-Y1722 HydrophobicContact CE2-CD2 3.69Å; F1718-Y1722 AromaticContact CE2-CE2 3.47Å; F1718-Y1722 HydrophobicContact CE2-CE2 3.47Å; F1718-Y1722 VanDerWaalsContact CE2-CE2 3.47Å; F1718-Y1722 HydrophobicContact CG-CD2 4.36Å; F1718-Y1722 HydrophobicContact CZ-CD2 4.14Å; F1718-Y1722 HydrophobicContact CZ-CE2 4.3Å; F1718-Y1722 WeakPolarHBondContact O-CD2 3.49Å; F1718-Y1722 PolarHBondContact O-N 3.08Å |
| 1719 | L | 87.2 | Confident | 86.9 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 175.3 | -65.5 | 176.4 | 0 | 0 | 0 | 111.8 | W1715 L1716 R1721 Y1722 G1723 L1724 | W1715-L1719 HydrophobicContact CD2-CD1 4.13Å; W1715-L1719 HydrophobicContact CE3-CD1 3.95Å; W1715-L1719 HydrophobicContact CH2-CD1 3.68Å; W1715-L1719 HydrophobicContact CZ2-CD1 3.84Å; W1715-L1719 HydrophobicContact CZ3-CD1 3.72Å; W1715-L1719 WeakPolarHBondContact O-CG 3.44Å; W1715-L1719 PolarHBondContact O-N 2.83Å; L1716-L1719 PolarHBondContact O-N 3.5Å; L1719-R1721 PolarHBondContact O-N 3.22Å; L1719-Y1722 PolarHBondContact O-N 2.91Å; L1719-G1723 PolarHBondContact O-N 2.62Å; L1719-L1724 HydrophobicContact CB-CB 4.27Å; L1719-L1724 HydrophobicContact CD2-CB 3.67Å; L1719-L1724 HydrophobicContact CD2-CD1 4.23Å; L1719-L1724 PolarHBondContact O-N 2.77Å |
| 1720 | N | 84.8 | Confident | 86.6 | Confident | 24 Ų | 24 | 23.7 Ų | 23.7 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.2 | -51.3 | 175.7 | -169.6 | 54.7 | 0 | 0 | 0 | 111.9 | L1716 C1717 F1718 Y1722 G1723 I1743 Y1854 H1881 | L1716-N1720 WeakPolarHBondContact O-CB 3.22Å; L1716-N1720 PolarHBondContact O-N 3.46Å; C1717-N1720 WeakPolarHBondContact O-CB 3.42Å; C1717-N1720 PolarHBondContact O-N 3.03Å; F1718-N1720 VanDerWaalsContact C-N 3.34Å; F1718-N1720 PolarHBondContact O-N 3.49Å; N1720-Y1722 VanDerWaalsContact C-N 3.27Å; N1720-Y1722 PolarHBondContact O-N 3.49Å; N1720-G1723 PolarHBondContact O-N 3.26Å; N1720-I1743 HydrophobicContact CB-CD1 4.22Å; N1720-Y1854 VanDerWaalsContact CB-OH 3.31Å; N1720-Y1854 WeakPolarHBondContact CB-OH 3.19Å; N1720-Y1854 PolarHBondContact OD1-OH 2.74Å; N1720-H1881 PolarHBondContact O-CE1 3.35Å; N1720-H1881 PolarHBondContact OD1-CE1 3.12Å; N1720-H1881 PolarHBondContact OD1-NE2 2.79Å |
| 1721 | R | 81.1 | Confident | 86 | Confident | 166 Ų | 166 | 23.5 Ų | 23.5 | 63% | 0.626 | 11% | 0.111 | S | C | * | . | H | α-helix | trans | -60.1 | -31.3 | -176.3 | -176.9 | 174.9 | 179 | 177.8 | -2.4 | 113.8 | C1717 F1718 L1719 | C1717-R1721 WeakPolarHBondContact O-CB 3.2Å; C1717-R1721 PolarHBondContact O-N 3.06Å; F1718-R1721 PolarHBondContact O-N 3.05Å; L1719-R1721 PolarHBondContact O-N 3.22Å |
| 1722 | Y | 76.8 | Confident | 85.4 | Confident | 51 Ų | 51 | 19.6 Ų | 19.6 | 20% | 0.2 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -103.6 | 5.4 | -178.3 | -68.4 | -79.5 | 0 | 0 | 0 | 114.2 | F1682 F1718 L1719 N1720 L1724 | F1682-Y1722 HydrophobicContact CB-CE1 3.87Å; F1682-Y1722 AromaticContact CD2-CD1 3.44Å; F1682-Y1722 HydrophobicContact CD2-CD1 3.44Å; F1682-Y1722 VanDerWaalsContact CD2-CD1 3.44Å; F1682-Y1722 AromaticContact CD2-CD2 3.54Å; F1682-Y1722 HydrophobicContact CD2-CD2 3.54Å; F1682-Y1722 AromaticContact CD2-CE1 3.45Å; F1682-Y1722 HydrophobicContact CD2-CE1 3.45Å; F1682-Y1722 VanDerWaalsContact CD2-CE1 3.45Å; F1682-Y1722 AromaticContact CD2-CE2 3.59Å; F1682-Y1722 HydrophobicContact CD2-CE2 3.59Å; F1682-Y1722 AromaticContact CD2-CG 3.49Å; F1682-Y1722 HydrophobicContact CD2-CG 3.49Å; F1682-Y1722 VanDerWaalsContact CD2-CG 3.49Å; F1682-Y1722 AromaticContact CD2-CZ 3.53Å; F1682-Y1722 AromaticContact CE2-CD1 3.76Å; F1682-Y1722 HydrophobicContact CE2-CD1 3.76Å; F1682-Y1722 AromaticContact CE2-CD2 3.77Å; F1682-Y1722 HydrophobicContact CE2-CD2 3.77Å; F1682-Y1722 HydrophobicContact CE2-CE1 4.25Å; F1682-Y1722 HydrophobicContact CE2-CE2 4.29Å; F1682-Y1722 AromaticContact CE2-CG 3.49Å; F1682-Y1722 HydrophobicContact CE2-CG 3.49Å; F1682-Y1722 VanDerWaalsContact CE2-CG 3.49Å; F1682-Y1722 HydrophobicContact CG-CD1 4.08Å; F1682-Y1722 AromaticContact CG-CE1 3.82Å; F1682-Y1722 HydrophobicContact CG-CE1 3.82Å; F1718-Y1722 AromaticContact CD2-CD2 3.81Å; F1718-Y1722 HydrophobicContact CD2-CD2 3.81Å; F1718-Y1722 AromaticContact CD2-CE2 3.63Å; F1718-Y1722 HydrophobicContact CD2-CE2 3.63Å; F1718-Y1722 AromaticContact CE2-CD2 3.69Å; F1718-Y1722 HydrophobicContact CE2-CD2 3.69Å; F1718-Y1722 AromaticContact CE2-CE2 3.47Å; F1718-Y1722 HydrophobicContact CE2-CE2 3.47Å; F1718-Y1722 VanDerWaalsContact CE2-CE2 3.47Å; F1718-Y1722 HydrophobicContact CG-CD2 4.36Å; F1718-Y1722 HydrophobicContact CZ-CD2 4.14Å; F1718-Y1722 HydrophobicContact CZ-CE2 4.3Å; F1718-Y1722 WeakPolarHBondContact O-CD2 3.49Å; F1718-Y1722 PolarHBondContact O-N 3.08Å; L1719-Y1722 PolarHBondContact O-N 2.91Å; N1720-Y1722 VanDerWaalsContact C-N 3.27Å; N1720-Y1722 PolarHBondContact O-N 3.49Å; Y1722-L1724 VanDerWaalsContact C-N 3.28Å; Y1722-L1724 PolarHBondContact O-N 3.12Å |
| 1723 | G | 75.3 | Confident | 84.6 | Confident | 21 Ų | 21 | 20.1 Ų | 20.1 | 22% | 0.216 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 25.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1719 N1720 | L1719-G1723 PolarHBondContact O-N 2.62Å; N1720-G1723 PolarHBondContact O-N 3.26Å |
| 1724 | L | 83 | Confident | 84.1 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | trans | -94.5 | 164.3 | -178.8 | -73.2 | 174.6 | 0 | 0 | 0 | 112.1 | L1631 F1649 F1682 L1686 L1719 Y1722 F1953 | L1631-L1724 HydrophobicContact CD2-CD2 3.55Å; L1631-L1724 HydrophobicContact CD2-CG 4.14Å; F1649-L1724 HydrophobicContact CE1-CD2 4.37Å; F1649-L1724 HydrophobicContact CZ-CD2 4.18Å; F1682-L1724 HydrophobicContact CE2-CD1 3.99Å; F1682-L1724 HydrophobicContact CZ-CD1 4.02Å; L1686-L1724 HydrophobicContact CD1-CD1 4.27Å; L1719-L1724 HydrophobicContact CB-CB 4.27Å; L1719-L1724 HydrophobicContact CD2-CB 3.67Å; L1719-L1724 HydrophobicContact CD2-CD1 4.23Å; L1719-L1724 PolarHBondContact O-N 2.77Å; Y1722-L1724 VanDerWaalsContact C-N 3.28Å; Y1722-L1724 PolarHBondContact O-N 3.12Å; L1724-F1953 HydrophobicContact CD1-CE1 4.28Å; L1724-F1953 HydrophobicContact CD2-CE1 3.97Å | ||
| 1725 | N | 88.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 20.5 Ų | 20.5 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | trans | -126.8 | 154.3 | -178.9 | -62.7 | -41 | 0 | 0 | 0 | 109.3 | H1881 R1882 L1904 | N1725-H1881 WeakPolarHBondContact OD1-CA 3.07Å; N1725-R1882 WeakPolarHBondContact CA-O 3.5Å; N1725-R1882 HydrophobicContact CB-CB 4.18Å; N1725-R1882 WeakPolarHBondContact CB-O 3.39Å; N1725-R1882 PolarHBondContact OD1-N 2.98Å; N1725-L1904 HydrophobicContact CB-CB 4.15Å; N1725-L1904 HydrophobicContact CB-CD2 4.11Å; N1725-L1904 PolarHBondContact ND2-O 2.99Å | ||
| 1726 | G | 88.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 176.3 | -175 | 0 | 0 | 0 | 0 | 0 | 116 | R1882 I1884 F1953 | G1726-R1882 PolarHBondContact N-O 3.21Å; G1726-I1884 PolarHBondContact O-N 2.93Å; G1726-F1953 CarbonylContact C-O 3.55Å; G1726-F1953 VanDerWaalsContact CA-O 3.31Å; G1726-F1953 WeakPolarHBondContact CA-O 3.4Å |
| 1727 | V | 90.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.1 | 177.4 | -164.6 | 0 | 0 | 0 | 0 | 110.2 | C1729 I1884 T1886 L1904 F1953 M1954 L1955 | V1727-C1729 WeakPolarHBondContact CG1-SG 3.44Å; V1727-C1729 PolarHBondContact O-N 3.02Å; V1727-I1884 CarbonylContact C-O 3.57Å; V1727-I1884 WeakPolarHBondContact CA-O 3.35Å; V1727-I1884 HydrophobicContact CB-CB 4.43Å; V1727-I1884 HydrophobicContact CG1-CB 3.98Å; V1727-I1884 HydrophobicContact CG1-CG2 3.88Å; V1727-I1884 HydrophobicContact CG2-CB 4.26Å; V1727-I1884 HydrophobicContact CG2-CD1 4.49Å; V1727-T1886 HydrophobicContact CG1-CG2 3.82Å; V1727-L1904 HydrophobicContact CG2-CD1 3.58Å; V1727-F1953 PolarHBondContact N-O 3.16Å; V1727-M1954 HydrophobicContact CB-CG 4.09Å; V1727-M1954 HydrophobicContact CG2-CG 4.12Å; V1727-L1955 PolarHBondContact O-N 3.04Å; V1727-L1955 VanDerWaalsContact O-N 3.13Å |
| 1728 | L | 91.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 100.6 | 170 | -171.9 | 62.4 | 0 | 0 | 0 | 109 | D1730 K1736 Q1739 I1884 L1885 T1886 L1955 | L1728-D1730 HydrophobicContact CG-CB 4.42Å; L1728-K1736 HydrophobicContact CD2-CB 4.03Å; L1728-K1736 HydrophobicContact CD2-CG 3.87Å; L1728-K1736 HydrophobicContact CG-CD 4.41Å; L1728-K1736 HydrophobicContact CG-CG 4.15Å; L1728-Q1739 HydrophobicContact CD2-CB 4.41Å; L1728-I1884 PolarHBondContact N-O 3.41Å; L1728-L1885 HydrophobicContact CB-CD2 3.82Å; L1728-L1885 HydrophobicContact CD2-CD2 4.06Å; L1728-T1886 PolarHBondContact O-N 3.11Å; L1728-L1955 HydrophobicContact CD1-CB 4.3Å; L1728-L1955 HydrophobicContact CD1-CD2 3.95Å; L1728-L1955 HydrophobicContact CD1-CG 4.4Å |
| 1729 | C | 85.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | trans | -97.8 | 20.7 | -175.7 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | V1727 T1886 P1889 L1955 R1956 | V1727-C1729 WeakPolarHBondContact CG1-SG 3.44Å; V1727-C1729 PolarHBondContact O-N 3.02Å; C1729-T1886 WeakPolarHBondContact CA-O 3.41Å; C1729-P1889 HydrophobicContact CB-CG 4.2Å; C1729-L1955 CarbonylContact C-O 3.14Å; C1729-L1955 VanDerWaalsContact CA-O 3.26Å; C1729-L1955 WeakPolarHBondContact CA-O 3.34Å; C1729-L1955 VanDerWaalsContact CB-O 3.3Å; C1729-L1955 WeakPolarHBondContact CB-O 3.29Å; C1729-L1955 PolarHBondContact N-O 3.19Å; C1729-R1956 HydrophobicContact CB-CB 3.85Å; C1729-R1956 HydrophobicContact CB-CG 4.19Å | ||
| 1730 | D | 84.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -51.1 | 143.7 | 171.8 | -83.6 | 0.1 | 0 | 0 | 0 | 111.3 | L1728 L1734 K1736 Q1739 R1957 | L1728-D1730 HydrophobicContact CG-CB 4.42Å; D1730-L1734 HydrophobicContact CB-CB 4.25Å; D1730-L1734 HydrophobicContact CB-CD1 4.04Å; D1730-K1736 HydrophobicContact CB-CD 4.02Å; D1730-K1736 HydrophobicContact CB-CG 3.7Å; D1730-K1736 PolarHBondContact O-NZ 2.64Å; D1730-Q1739 PolarHBondContact OD2-NE2 3.33Å; D1730-R1957 VanDerWaalsContact CG-NH2 3.27Å; D1730-R1957 IonicContact OD1-CZ 2.74Å; D1730-R1957 VanDerWaalsContact OD1-CZ 3.26Å; D1730-R1957 IonicContact OD1-NE 3.44Å; D1730-R1957 PolarHBondContact OD1-NE 3.02Å; D1730-R1957 IonicContact OD1-NH2 3.67Å; D1730-R1957 PolarHBondContact OD1-NH2 3.04Å; D1730-R1957 IonicContact OD2-CZ 3.9Å; D1730-R1957 IonicContact OD2-NH2 2.69Å; D1730-R1957 PolarHBondContact OD2-NH2 3.49Å | ||
| 1731 | D | 75.1 | Confident | 84.5 | Confident | 43 Ų | 43 | 19.8 Ų | 19.8 | 23% | 0.23 | 10% | 0.102 | C | C | . | . | trans | -63.2 | 163 | 174.6 | -167.6 | 24 | 0 | 0 | 0 | 113.4 | G1733 L1734 K1736 R1957 K1959 | D1731-G1733 VanDerWaalsContact C-N 3.34Å; D1731-G1733 PolarHBondContact O-N 3.31Å; D1731-L1734 HydrophobicContact CB-CD1 4.32Å; D1731-L1734 PolarHBondContact O-N 3.34Å; D1731-K1736 PolarHBondContact O-NZ 3.42Å; D1731-K1736 VanDerWaalsContact O-NZ 3.15Å; D1731-R1957 PolarHBondContact N-O 2.95Å; D1731-R1957 VanDerWaalsContact N-O 3.08Å; D1731-K1959 HydrophobicContact CB-CG 4.19Å; D1731-K1959 WeakPolarHBondContact OD2-CD 3.27Å; D1731-K1959 WeakPolarHBondContact OD2-CE 3.25Å; D1731-K1959 WeakPolarHBondContact OD2-CG 3.2Å; D1731-K1959 IonicContact OD2-NZ 3.07Å | ||
| 1732 | L | 74.7 | Confident | 85 | Confident | 20 Ų | 20 | 11.9 Ų | 11.9 | 11% | 0.105 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 77.1 | -172.1 | -70.7 | 165.5 | 0 | 0 | 0 | 112.3 | K1959 Q2221 D2224 | L1732-K1959 WeakPolarHBondContact O-CE 3.3Å; L1732-K1959 PolarHBondContact O-NZ 3Å; L1732-Q2221 HydrophobicContact CD1-CB 4.4Å; L1732-Q2221 HydrophobicContact CD1-CG 3.49Å; L1732-Q2221 VanDerWaalsContact CD1-CG 3.49Å; L1732-Q2221 HydrophobicContact CD2-CG 4.15Å; L1732-Q2221 HydrophobicContact CG-CG 4.47Å; L1732-D2224 HydrophobicContact CB-CB 4.26Å; L1732-D2224 WeakPolarHBondContact CB-OD2 3.4Å |
| 1733 | G | 72.2 | Confident | 85.7 | Confident | 11 Ų | 11 | 9.5 Ų | 9.5 | 11% | 0.113 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 162.8 | -23.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1731 G1735 I2229 | D1731-G1733 VanDerWaalsContact C-N 3.34Å; D1731-G1733 PolarHBondContact O-N 3.31Å; G1733-G1735 PolarHBondContact O-N 3.1Å; G1733-G1735 VanDerWaalsContact O-N 3.11Å; G1733-I2229 WeakPolarHBondContact O-CD1 3.43Å |
| 1734 | L | 79.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -61.3 | -21.5 | -175.5 | -65.4 | -178 | 0 | 0 | 0 | 114.3 | Y1708 Q1709 D1730 D1731 R1957 K1959 V1962 M1963 | Y1708-L1734 HydrophobicContact CE2-CB 3.74Å; Y1708-L1734 HydrophobicContact CE2-CD2 3.99Å; Y1708-L1734 HydrophobicContact CE2-CG 4.36Å; Y1708-L1734 WeakPolarHBondContact CE2-O 3.34Å; Y1708-L1734 PolarHBondContact OH-O 2.83Å; Q1709-L1734 PolarHBondContact NE2-O 2.76Å; D1730-L1734 HydrophobicContact CB-CB 4.25Å; D1730-L1734 HydrophobicContact CB-CD1 4.04Å; D1731-L1734 HydrophobicContact CB-CD1 4.32Å; D1731-L1734 PolarHBondContact O-N 3.34Å; L1734-R1957 HydrophobicContact CD1-CB 4.12Å; L1734-R1957 WeakPolarHBondContact CD1-O 3.47Å; L1734-K1959 HydrophobicContact CD2-CG 4.29Å; L1734-V1962 HydrophobicContact CD2-CB 4.5Å; L1734-V1962 HydrophobicContact CD2-CG1 4.2Å; L1734-M1963 HydrophobicContact CD2-CE 4.1Å; L1734-M1963 HydrophobicContact CD2-CG 4.01Å; L1734-M1963 HydrophobicContact CD2-SD 3.86Å |
| 1735 | G | 80.5 | Confident | 86.7 | Confident | 18 Ų | 18 | 8.4 Ų | 8.4 | 19% | 0.186 | 5% | 0.052 | C | C | . | . | trans | 104.8 | 41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1733 T1737 L1738 Q1739 | G1733-G1735 PolarHBondContact O-N 3.1Å; G1733-G1735 VanDerWaalsContact O-N 3.11Å; G1735-T1737 PolarHBondContact O-N 3.2Å; G1735-L1738 PolarHBondContact O-N 2.83Å; G1735-Q1739 PolarHBondContact O-N 2.83Å | ||
| 1736 | K | 89.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 7.7 Ų | 7.7 | 8% | 0.083 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -47.1 | -42.5 | 175.9 | -67.9 | -173.4 | -78.9 | -82.2 | 0 | 114 | L1728 D1730 D1731 L1738 Q1739 T1740 L1885 | L1728-K1736 HydrophobicContact CD2-CB 4.03Å; L1728-K1736 HydrophobicContact CD2-CG 3.87Å; L1728-K1736 HydrophobicContact CG-CD 4.41Å; L1728-K1736 HydrophobicContact CG-CG 4.15Å; D1730-K1736 HydrophobicContact CB-CD 4.02Å; D1730-K1736 HydrophobicContact CB-CG 3.7Å; D1730-K1736 PolarHBondContact O-NZ 2.64Å; D1731-K1736 PolarHBondContact O-NZ 3.42Å; D1731-K1736 VanDerWaalsContact O-NZ 3.15Å; K1736-L1738 PolarHBondContact O-N 3.44Å; K1736-Q1739 PolarHBondContact O-N 2.85Å; K1736-T1740 WeakPolarHBondContact O-CB 3.43Å; K1736-T1740 PolarHBondContact O-N 2.76Å; K1736-T1740 PolarHBondContact O-OG1 2.73Å; K1736-L1885 HydrophobicContact CD-CB 4.44Å |
| 1737 | T | 90 | Very high | 86.6 | Confident | 21 Ų | 21 | 7.8 Ų | 7.8 | 13% | 0.129 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 178.6 | -44.6 | 0 | 0 | 0 | 0 | 111.8 | G1735 T1740 I1741 W1795 E1798 | G1735-T1737 PolarHBondContact O-N 3.2Å; T1737-T1740 PolarHBondContact O-N 2.74Å; T1737-I1741 HydrophobicContact CG2-CD1 4.06Å; T1737-I1741 VanDerWaalsContact O-CG1 3.3Å; T1737-I1741 WeakPolarHBondContact O-CG1 3.31Å; T1737-I1741 PolarHBondContact O-N 2.67Å; T1737-W1795 HydrophobicContact CG2-CD2 4Å; T1737-W1795 HydrophobicContact CG2-CE3 3.85Å; T1737-W1795 HydrophobicContact CG2-CH2 3.94Å; T1737-W1795 HydrophobicContact CG2-CZ2 4.06Å; T1737-W1795 HydrophobicContact CG2-CZ3 3.83Å; T1737-E1798 HydrophobicContact CG2-CB 4.27Å; T1737-E1798 HydrophobicContact CG2-CG 4.34Å |
| 1738 | L | 90.2 | Very high | 86.4 | Confident | 21 Ų | 21 | 7.8 Ų | 7.8 | 11% | 0.11 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 179.2 | 177.6 | 58.3 | 0 | 0 | 0 | 111.2 | I1701 L1705 G1735 K1736 T1740 I1741 C1742 F1802 | I1701-L1738 HydrophobicContact CG2-CD1 4.46Å; L1705-L1738 HydrophobicContact CD2-CD1 4.41Å; L1705-L1738 HydrophobicContact CD2-CD2 3.76Å; L1705-L1738 HydrophobicContact CD2-CG 3.86Å; G1735-L1738 PolarHBondContact O-N 2.83Å; K1736-L1738 PolarHBondContact O-N 3.44Å; L1738-T1740 PolarHBondContact O-N 3.41Å; L1738-I1741 PolarHBondContact O-N 3.24Å; L1738-I1741 VanDerWaalsContact O-N 3.14Å; L1738-C1742 PolarHBondContact O-N 3.37Å; L1738-C1742 PolarHBondContact O-SG 3.15Å; L1738-F1802 HydrophobicContact CD1-CB 4.27Å; L1738-F1802 HydrophobicContact CD1-CD1 3.76Å; L1738-F1802 HydrophobicContact CD1-CD2 3.82Å; L1738-F1802 HydrophobicContact CD1-CE1 4Å; L1738-F1802 HydrophobicContact CD1-CE2 4.05Å; L1738-F1802 HydrophobicContact CD1-CG 3.68Å; L1738-F1802 HydrophobicContact CD1-CZ 4.14Å; L1738-F1802 HydrophobicContact CD2-CE1 4.47Å; L1738-F1802 HydrophobicContact CD2-CZ 4.43Å |
| 1739 | Q | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.5 | -39.1 | 176 | -64.1 | 174 | 46.9 | 0 | 0 | 111.6 | Q1709 V1713 L1716 L1728 D1730 G1735 K1736 C1742 I1743 | Q1709-Q1739 HydrophobicContact CB-CG 4.27Å; V1713-Q1739 HydrophobicContact CG2-CB 4.17Å; V1713-Q1739 HydrophobicContact CG2-CG 4.38Å; L1716-Q1739 HydrophobicContact CD1-CB 4.19Å; L1728-Q1739 HydrophobicContact CD2-CB 4.41Å; D1730-Q1739 PolarHBondContact OD2-NE2 3.33Å; G1735-Q1739 PolarHBondContact O-N 2.83Å; K1736-Q1739 PolarHBondContact O-N 2.85Å; Q1739-C1742 WeakPolarHBondContact O-CB 3.49Å; Q1739-C1742 PolarHBondContact O-N 3.39Å; Q1739-I1743 PolarHBondContact O-N 2.9Å |
| 1740 | T | 93.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.7 | -41.4 | 177.3 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | K1736 T1737 L1738 C1742 I1743 L1744 W1795 V1856 L1883 | K1736-T1740 WeakPolarHBondContact O-CB 3.43Å; K1736-T1740 PolarHBondContact O-N 2.76Å; K1736-T1740 PolarHBondContact O-OG1 2.73Å; T1737-T1740 PolarHBondContact O-N 2.74Å; L1738-T1740 PolarHBondContact O-N 3.41Å; T1740-C1742 VanDerWaalsContact C-N 3.3Å; T1740-C1742 PolarHBondContact O-N 2.82Å; T1740-I1743 VanDerWaalsContact O-CG2 3.28Å; T1740-I1743 WeakPolarHBondContact O-CG2 3.29Å; T1740-I1743 PolarHBondContact O-N 2.8Å; T1740-L1744 HydrophobicContact CG2-CD1 4.08Å; T1740-L1744 HydrophobicContact CG2-CG 4.39Å; T1740-L1744 WeakPolarHBondContact O-CB 3.31Å; T1740-L1744 VanDerWaalsContact O-CG 3.31Å; T1740-L1744 WeakPolarHBondContact O-CG 3.45Å; T1740-L1744 PolarHBondContact O-N 2.96Å; T1740-W1795 HydrophobicContact CG2-CH2 3.94Å; T1740-W1795 HydrophobicContact CG2-CZ3 4.26Å; T1740-V1856 HydrophobicContact CG2-CG1 3.98Å; T1740-V1856 HydrophobicContact CG2-CG2 3.85Å; T1740-L1883 HydrophobicContact CG2-CD2 3.95Å |
| 1741 | I | 92.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 175.2 | -69 | 165.8 | 0 | 0 | 0 | 110.3 | T1737 L1738 I1743 L1744 A1745 W1795 E1798 I1799 F1802 L1808 | T1737-I1741 HydrophobicContact CG2-CD1 4.06Å; T1737-I1741 VanDerWaalsContact O-CG1 3.3Å; T1737-I1741 WeakPolarHBondContact O-CG1 3.31Å; T1737-I1741 PolarHBondContact O-N 2.67Å; L1738-I1741 PolarHBondContact O-N 3.24Å; L1738-I1741 VanDerWaalsContact O-N 3.14Å; I1741-I1743 PolarHBondContact O-N 3.47Å; I1741-L1744 PolarHBondContact O-N 3.21Å; I1741-A1745 VanDerWaalsContact O-CB 3.31Å; I1741-A1745 WeakPolarHBondContact O-CB 3.41Å; I1741-A1745 PolarHBondContact O-N 3.4Å; I1741-W1795 HydrophobicContact CG1-CZ3 4.4Å; I1741-E1798 HydrophobicContact CD1-CB 3.86Å; I1741-I1799 HydrophobicContact CD1-CG1 3.92Å; I1741-I1799 HydrophobicContact CG1-CG1 3.95Å; I1741-F1802 HydrophobicContact CD1-CD2 4.33Å; I1741-F1802 HydrophobicContact CG2-CB 4.42Å; I1741-L1808 HydrophobicContact CG2-CD1 4.22Å |
| 1742 | C | 91.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 178 | -62 | 0 | 0 | 0 | 0 | 112.4 | L1697 I1701 V1713 L1738 Q1739 T1740 A1745 G1746 | L1697-C1742 HydrophobicContact CD1-CB 4.14Å; L1697-C1742 HydrophobicContact CD2-CB 3.95Å; L1697-C1742 WeakPolarHBondContact CD2-O 3.41Å; I1701-C1742 HydrophobicContact CD1-CB 3.94Å; I1701-C1742 WeakPolarHBondContact CD1-SG 3.45Å; V1713-C1742 HydrophobicContact CG1-CB 4.17Å; V1713-C1742 HydrophobicContact CG2-CB 3.62Å; L1738-C1742 PolarHBondContact O-N 3.37Å; L1738-C1742 PolarHBondContact O-SG 3.15Å; Q1739-C1742 WeakPolarHBondContact O-CB 3.49Å; Q1739-C1742 PolarHBondContact O-N 3.39Å; T1740-C1742 VanDerWaalsContact C-N 3.3Å; T1740-C1742 PolarHBondContact O-N 2.82Å; C1742-A1745 PolarHBondContact O-N 2.95Å; C1742-G1746 PolarHBondContact O-N 3.41Å |
| 1743 | I | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.9 | -36.5 | -178.8 | -172.3 | 61 | 0 | 0 | 0 | 112.5 | L1716 C1717 N1720 Q1739 T1740 I1741 A1745 G1746 S1747 | L1716-I1743 HydrophobicContact CB-CB 4.13Å; L1716-I1743 HydrophobicContact CB-CG1 4.12Å; L1716-I1743 HydrophobicContact CB-CG2 4.19Å; L1716-I1743 HydrophobicContact CD1-CG2 3.99Å; C1717-I1743 HydrophobicContact CB-CD1 4.11Å; N1720-I1743 HydrophobicContact CB-CD1 4.22Å; Q1739-I1743 PolarHBondContact O-N 2.9Å; T1740-I1743 VanDerWaalsContact O-CG2 3.28Å; T1740-I1743 WeakPolarHBondContact O-CG2 3.29Å; T1740-I1743 PolarHBondContact O-N 2.8Å; I1741-I1743 PolarHBondContact O-N 3.47Å; I1743-A1745 VanDerWaalsContact C-N 3.33Å; I1743-A1745 PolarHBondContact O-N 3.38Å; I1743-G1746 PolarHBondContact O-N 3.48Å; I1743-S1747 VanDerWaalsContact O-CB 3.29Å; I1743-S1747 WeakPolarHBondContact O-CB 3.3Å; I1743-S1747 PolarHBondContact O-N 2.93Å |
| 1744 | L | 91.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 173.5 | -73.4 | 174.6 | 0 | 0 | 0 | 110.8 | T1740 I1741 H1748 V1785 Y1854 | T1740-L1744 HydrophobicContact CG2-CD1 4.08Å; T1740-L1744 HydrophobicContact CG2-CG 4.39Å; T1740-L1744 WeakPolarHBondContact O-CB 3.31Å; T1740-L1744 VanDerWaalsContact O-CG 3.31Å; T1740-L1744 WeakPolarHBondContact O-CG 3.45Å; T1740-L1744 PolarHBondContact O-N 2.96Å; I1741-L1744 PolarHBondContact O-N 3.21Å; L1744-H1748 WeakPolarHBondContact O-CB 3.45Å; L1744-H1748 PolarHBondContact O-CD2 2.77Å; L1744-H1748 VanDerWaalsContact O-CD2 3.25Å; L1744-H1748 PolarHBondContact O-N 3.28Å; L1744-V1785 HydrophobicContact CD1-CG2 4.43Å; L1744-Y1854 HydrophobicContact CD2-CD1 4.2Å; L1744-Y1854 HydrophobicContact CD2-CD2 4.11Å; L1744-Y1854 HydrophobicContact CD2-CG 3.68Å |
| 1745 | A | 89.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -52.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1699 I1741 C1742 I1743 S1747 H1748 H1749 L1808 | I1699-A1745 HydrophobicContact CD1-CB 3.56Å; I1699-A1745 WeakPolarHBondContact CD1-O 3.22Å; I1741-A1745 VanDerWaalsContact O-CB 3.31Å; I1741-A1745 WeakPolarHBondContact O-CB 3.41Å; I1741-A1745 PolarHBondContact O-N 3.4Å; C1742-A1745 PolarHBondContact O-N 2.95Å; I1743-A1745 VanDerWaalsContact C-N 3.33Å; I1743-A1745 PolarHBondContact O-N 3.38Å; A1745-S1747 PolarHBondContact O-N 3.27Å; A1745-H1748 PolarHBondContact O-N 2.72Å; A1745-H1749 WeakPolarHBondContact O-CB 3.49Å; A1745-H1749 PolarHBondContact O-N 3.12Å; A1745-L1808 HydrophobicContact CB-CD1 3.56Å; A1745-L1808 HydrophobicContact CB-CG 4.09Å |
| 1746 | G | 87.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.3 | -50.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C1742 I1743 H1748 H1749 E1750 | C1742-G1746 PolarHBondContact O-N 3.41Å; I1743-G1746 PolarHBondContact O-N 3.48Å; G1746-H1748 PolarHBondContact O-N 3.08Å; G1746-H1749 PolarHBondContact O-N 3.07Å; G1746-E1750 WeakPolarHBondContact O-CB 3.3Å; G1746-E1750 WeakPolarHBondContact O-CG 3.45Å; G1746-E1750 PolarHBondContact O-N 3.07Å |
| 1747 | S | 86.5 | Confident | 82 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | I1743 A1745 L1751 N1853 | I1743-S1747 VanDerWaalsContact O-CB 3.29Å; I1743-S1747 WeakPolarHBondContact O-CB 3.3Å; I1743-S1747 PolarHBondContact O-N 2.93Å; A1745-S1747 PolarHBondContact O-N 3.27Å; S1747-L1751 WeakPolarHBondContact O-CB 3.38Å; S1747-L1751 VanDerWaalsContact O-CG 3.29Å; S1747-L1751 WeakPolarHBondContact O-CG 3.47Å; S1747-L1751 PolarHBondContact O-N 3.04Å; S1747-N1853 PolarHBondContact OG-ND2 2.64Å |
| 1748 | H | 86.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 178 | -90.8 | -84.9 | 0 | 0 | 0 | 112.2 | L1744 A1745 G1746 L1751 K1752 P1781 S1783 L1808 D1831 | L1744-H1748 WeakPolarHBondContact O-CB 3.45Å; L1744-H1748 PolarHBondContact O-CD2 2.77Å; L1744-H1748 VanDerWaalsContact O-CD2 3.25Å; L1744-H1748 PolarHBondContact O-N 3.28Å; A1745-H1748 PolarHBondContact O-N 2.72Å; G1746-H1748 PolarHBondContact O-N 3.08Å; H1748-L1751 PolarHBondContact O-N 3.45Å; H1748-K1752 VanDerWaalsContact O-CB 3.28Å; H1748-K1752 WeakPolarHBondContact O-CB 3.43Å; H1748-K1752 WeakPolarHBondContact O-CG 3.37Å; H1748-K1752 PolarHBondContact O-N 3.09Å; H1748-P1781 PolarHBondContact CE1-O 2.88Å; H1748-P1781 VanDerWaalsContact CE1-O 3.23Å; H1748-S1783 PolarHBondContact NE2-OG 3.48Å; H1748-S1783 VanDerWaalsContact NE2-OG 3.14Å; H1748-L1808 HydrophobicContact CB-CD2 4.37Å; H1748-D1831 PolarHBondContact CE1-O 3.11Å; H1748-D1831 PolarHBondContact NE2-O 3.45Å |
| 1749 | H | 84 | Confident | 78 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 21% | 0.213 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -41.9 | 179.3 | 172.5 | -92 | 0 | 0 | 0 | 112.7 | I1699 A1745 G1746 L1751 K1752 Q1753 | I1699-H1749 HydrophobicContact CD1-CB 3.59Å; I1699-H1749 HydrophobicContact CG1-CB 4.02Å; A1745-H1749 WeakPolarHBondContact O-CB 3.49Å; A1745-H1749 PolarHBondContact O-N 3.12Å; G1746-H1749 PolarHBondContact O-N 3.07Å; H1749-L1751 PolarHBondContact O-N 3.12Å; H1749-K1752 PolarHBondContact O-N 3.03Å; H1749-Q1753 PolarHBondContact CE1-NE2 3.42Å; H1749-Q1753 PolarHBondContact NE2-NE2 3.13Å; H1749-Q1753 WeakPolarHBondContact O-CB 3.49Å; H1749-Q1753 WeakPolarHBondContact O-CG 3.28Å; H1749-Q1753 PolarHBondContact O-N 2.96Å |
| 1750 | E | 82 | Confident | 75.6 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 172.8 | -73.5 | 170.3 | -171.2 | 0 | 0 | 111.4 | Y1695 G1746 Q1753 C1754 | Y1695-E1750 WeakPolarHBondContact CE2-OE1 3.25Å; Y1695-E1750 PolarHBondContact OH-OE1 3.45Å; G1746-E1750 WeakPolarHBondContact O-CB 3.3Å; G1746-E1750 WeakPolarHBondContact O-CG 3.45Å; G1746-E1750 PolarHBondContact O-N 3.07Å; E1750-Q1753 PolarHBondContact O-N 3.48Å; E1750-C1754 PolarHBondContact O-N 2.87Å; E1750-C1754 PolarHBondContact O-SG 3.3Å; E1750-C1754 VanDerWaalsContact O-SG 3.37Å |
| 1751 | L | 77.7 | Confident | 72.7 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.4 | -70.1 | 171.3 | 0 | 0 | 0 | 112.5 | S1747 H1748 H1749 Q1753 C1754 L1755 P1781 | S1747-L1751 WeakPolarHBondContact O-CB 3.38Å; S1747-L1751 VanDerWaalsContact O-CG 3.29Å; S1747-L1751 WeakPolarHBondContact O-CG 3.47Å; S1747-L1751 PolarHBondContact O-N 3.04Å; H1748-L1751 PolarHBondContact O-N 3.45Å; H1749-L1751 PolarHBondContact O-N 3.12Å; L1751-Q1753 VanDerWaalsContact C-N 3.29Å; L1751-Q1753 PolarHBondContact O-N 2.77Å; L1751-C1754 PolarHBondContact O-N 3.29Å; L1751-L1755 WeakPolarHBondContact O-CB 3.2Å; L1751-L1755 WeakPolarHBondContact O-CD1 3.43Å; L1751-L1755 VanDerWaalsContact O-CG 3.27Å; L1751-L1755 WeakPolarHBondContact O-CG 3.4Å; L1751-L1755 PolarHBondContact O-N 3.33Å; L1751-P1781 HydrophobicContact CB-CG 4Å; L1751-P1781 HydrophobicContact CD1-CB 3.94Å; L1751-P1781 HydrophobicContact CD1-CG 3.95Å |
| 1752 | K | 76.2 | Confident | 69.7 | Low | 63 Ų | 63 | 61.4 Ų | 61.4 | 27% | 0.274 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 173.8 | -75.7 | 169 | -177.6 | -179.6 | 0 | 110.8 | H1748 H1749 A1756 D1807 D1831 | H1748-K1752 VanDerWaalsContact O-CB 3.28Å; H1748-K1752 WeakPolarHBondContact O-CB 3.43Å; H1748-K1752 WeakPolarHBondContact O-CG 3.37Å; H1748-K1752 PolarHBondContact O-N 3.09Å; H1749-K1752 PolarHBondContact O-N 3.03Å; K1752-A1756 WeakPolarHBondContact O-CB 3.22Å; K1752-A1756 PolarHBondContact O-N 3.21Å; K1752-D1807 PolarHBondContact NZ-O 2.93Å; K1752-D1831 WeakPolarHBondContact CE-OD1 3.49Å; K1752-D1831 IonicContact NZ-OD1 3.85Å; K1752-D1831 PolarHBondContact NZ-OD1 2.81Å; K1752-D1831 IonicContact NZ-OD2 3.76Å; K1752-D1831 PolarHBondContact NZ-OD2 3.08Å |
| 1753 | Q | 72.1 | Confident | 66.7 | Low | 107 Ų | 107 | 71.2 Ų | 71.2 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.8 | -47.1 | 174.7 | -75.4 | -166.6 | -3.1 | 0 | 0 | 112.8 | H1749 E1750 L1751 L1755 A1756 T1757 | H1749-Q1753 PolarHBondContact CE1-NE2 3.42Å; H1749-Q1753 PolarHBondContact NE2-NE2 3.13Å; H1749-Q1753 WeakPolarHBondContact O-CB 3.49Å; H1749-Q1753 WeakPolarHBondContact O-CG 3.28Å; H1749-Q1753 PolarHBondContact O-N 2.96Å; E1750-Q1753 PolarHBondContact O-N 3.48Å; L1751-Q1753 VanDerWaalsContact C-N 3.29Å; L1751-Q1753 PolarHBondContact O-N 2.77Å; Q1753-L1755 VanDerWaalsContact C-N 3.28Å; Q1753-L1755 PolarHBondContact O-N 2.84Å; Q1753-A1756 WeakPolarHBondContact O-CB 3.3Å; Q1753-A1756 PolarHBondContact O-N 3.4Å; Q1753-T1757 PolarHBondContact O-N 3.35Å; Q1753-T1757 PolarHBondContact O-OG1 2.88Å; Q1753-T1757 VanDerWaalsContact O-OG1 3.09Å |
| 1754 | C | 66.9 | Low | 63.9 | Low | 53 Ų | 53 | 82 Ų | 82 | 36% | 0.358 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 176.4 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | E1750 L1751 T1757 H1758 | E1750-C1754 PolarHBondContact O-N 2.87Å; E1750-C1754 PolarHBondContact O-SG 3.3Å; E1750-C1754 VanDerWaalsContact O-SG 3.37Å; L1751-C1754 PolarHBondContact O-N 3.29Å; C1754-T1757 PolarHBondContact O-OG1 3.29Å; C1754-H1758 PolarHBondContact O-CD2 2.91Å; C1754-H1758 VanDerWaalsContact O-CD2 3.26Å; C1754-H1758 PolarHBondContact O-N 3.29Å |
| 1755 | L | 65.5 | Low | 61.1 | Low | 71 Ų | 71 | 89 Ų | 89 | 37% | 0.372 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.1 | -33.3 | 174.2 | -71.8 | 165.6 | 0 | 0 | 0 | 112.5 | L1751 Q1753 N1759 | L1751-L1755 WeakPolarHBondContact O-CB 3.2Å; L1751-L1755 WeakPolarHBondContact O-CD1 3.43Å; L1751-L1755 VanDerWaalsContact O-CG 3.27Å; L1751-L1755 WeakPolarHBondContact O-CG 3.4Å; L1751-L1755 PolarHBondContact O-N 3.33Å; Q1753-L1755 VanDerWaalsContact C-N 3.28Å; Q1753-L1755 PolarHBondContact O-N 2.84Å; L1755-N1759 PolarHBondContact O-ND2 3.45Å |
| 1756 | A | 60.2 | Low | 58.1 | Low | 61 Ų | 61 | 93.5 Ų | 93.5 | 50% | 0.504 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.4 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1752 Q1753 H1758 N1759 | K1752-A1756 WeakPolarHBondContact O-CB 3.22Å; K1752-A1756 PolarHBondContact O-N 3.21Å; Q1753-A1756 WeakPolarHBondContact O-CB 3.3Å; Q1753-A1756 PolarHBondContact O-N 3.4Å; A1756-H1758 VanDerWaalsContact C-N 3.33Å; A1756-H1758 PolarHBondContact O-N 3.14Å; A1756-N1759 PolarHBondContact O-N 3.38Å |
| 1757 | T | 55.5 | Low | 55.1 | Low | 89 Ų | 89 | 100.2 Ų | 100.2 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -28.9 | -177.5 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | Q1753 C1754 N1759 | Q1753-T1757 PolarHBondContact O-N 3.35Å; Q1753-T1757 PolarHBondContact O-OG1 2.88Å; Q1753-T1757 VanDerWaalsContact O-OG1 3.09Å; C1754-T1757 PolarHBondContact O-OG1 3.29Å; T1757-N1759 VanDerWaalsContact C-N 3.3Å; T1757-N1759 PolarHBondContact O-N 3.3Å |
| 1758 | H | 49.2 | Very low | 52.2 | Low | 117 Ų | 117 | 109 Ų | 109 | 54% | 0.542 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -11.9 | 176.3 | -82.6 | -53.4 | 0 | 0 | 0 | 114.8 | C1754 A1756 | C1754-H1758 PolarHBondContact O-CD2 2.91Å; C1754-H1758 VanDerWaalsContact O-CD2 3.26Å; C1754-H1758 PolarHBondContact O-N 3.29Å; A1756-H1758 VanDerWaalsContact C-N 3.33Å; A1756-H1758 PolarHBondContact O-N 3.14Å |
| 1759 | N | 46.8 | Very low | 49.3 | Very low | 147 Ų | 147 | 113.8 Ų | 113.8 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -12.2 | -179.8 | -82.6 | -46.5 | 0 | 0 | 0 | 114.6 | L1755 A1756 T1757 | L1755-N1759 PolarHBondContact O-ND2 3.45Å; A1756-N1759 PolarHBondContact O-N 3.38Å; T1757-N1759 VanDerWaalsContact C-N 3.3Å; T1757-N1759 PolarHBondContact O-N 3.3Å |
| 1760 | S | 41.4 | Very low | 46.6 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -27 | -174.2 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1761 | N | 32.3 | Very low | 44.2 | Very low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | trans | -116.4 | 102.2 | -173.5 | -79.3 | -17.7 | 0 | 0 | 0 | 114 | ||||
| 1762 | K | 29 | Very low | 41.9 | Very low | 188 Ų | 188 | 121 Ų | 121 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | trans | -81.8 | 143.7 | 147.9 | -87.7 | 176.8 | 172.4 | 172.9 | 0 | 108.4 | ||||
| 1763 | Y | 28.6 | Very low | 40 | Very low | 205 Ų | 205 | 123.7 Ų | 123.7 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 82 | 147.4 | 179.1 | -59.5 | -83.8 | 0 | 0 | 0 | 116.9 | ||
| 1764 | Y | 32.1 | Very low | 38.3 | Very low | 228 Ų | 228 | 122.9 Ų | 122.9 | 89% | 0.894 | 66% | 0.656 | S | S | * | * | trans | 78.7 | 105.8 | -175.4 | -60.6 | -75.4 | 0 | 0 | 0 | 117.3 | ||||
| 1765 | V | 34.2 | Very low | 36.8 | Very low | 146 Ų | 146 | 128 Ų | 128 | 89% | 0.885 | 67% | 0.672 | S | S | * | * | trans | -111.5 | 125 | 168.8 | 169.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1766 | S | 26 | Very low | 35.5 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | trans | -166.6 | 115.7 | 154.2 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1767 | N | 23.7 | Very low | 34.6 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 72.6 | 137.8 | 159.6 | -52 | -8.7 | 0 | 0 | 0 | 118.8 | ||
| 1768 | E | 25.4 | Very low | 34.1 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | trans | 59.2 | 64.4 | 154.8 | -63.2 | 171.5 | -157.4 | 0 | 0 | 119.2 | ||||
| 1769 | S | 26.6 | Very low | 34.3 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | -169.3 | 86.3 | 156.7 | 27 | 0 | 0 | 0 | 0 | 113.9 | V1771 | S1769-V1771 PolarHBondContact O-N 3.05Š| ||
| 1770 | N | 28.3 | Very low | 35 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -79.6 | 61.4 | 171.8 | -79.8 | -15.8 | 0 | 0 | 0 | 112.2 | ||||
| 1771 | V | 30.8 | Very low | 36.5 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | trans | -74.4 | 134.9 | 149.5 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | S1769 | S1769-V1771 PolarHBondContact O-N 3.05Š| ||
| 1772 | M | 29.2 | Very low | 39.2 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 44% | 0.443 | 64% | 0.636 | S | S | . | * | trans | 157 | 110.9 | 150.1 | -77 | -106.5 | 170.7 | 0 | 0 | 111.6 | K1775 | M1772-K1775 HydrophobicContact SD-CD 3.54Å; M1772-K1775 VanDerWaalsContact SD-CD 3.54Å; M1772-K1775 WeakPolarHBondContact SD-CE 3.49Å; M1772-K1775 HydrophobicContact SD-CG 4.18Å; M1772-K1775 PolarHBondContact SD-NZ 3.49Å | ||
| 1773 | D | 36.7 | Very low | 42.3 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | trans | -154.5 | 1.7 | 134.2 | -123.3 | 2.5 | 0 | 0 | 0 | 112.5 | K1775 | D1773-K1775 PolarHBondContact O-N 3.46Š| ||
| 1774 | T | 36.8 | Very low | 45.4 | Very low | 91 Ų | 91 | 100.8 Ų | 100.8 | 56% | 0.558 | 56% | 0.56 | S | S | * | * | trans | -72.7 | 64.3 | 167.2 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1775 | K | 34.9 | Very low | 48.4 | Very low | 160 Ų | 160 | 89.9 Ų | 89.9 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | trans | -123.1 | 13.3 | -178.4 | -111.5 | -179.7 | 177.6 | 165.8 | 0 | 114.5 | M1772 D1773 | M1772-K1775 HydrophobicContact SD-CD 3.54Å; M1772-K1775 VanDerWaalsContact SD-CD 3.54Å; M1772-K1775 WeakPolarHBondContact SD-CE 3.49Å; M1772-K1775 HydrophobicContact SD-CG 4.18Å; M1772-K1775 PolarHBondContact SD-NZ 3.49Å; D1773-K1775 PolarHBondContact O-N 3.46Å | ||
| 1776 | V | 38.9 | Very low | 51.3 | Low | 130 Ų | 130 | 83 Ų | 83 | 79% | 0.788 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -111 | 115.7 | 173.6 | -171 | 0 | 0 | 0 | 0 | 108 | ||
| 1777 | D | 41 | Very low | 54.3 | Low | 105 Ų | 105 | 78.3 Ų | 78.3 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | trans | 63.5 | 117.2 | -171.3 | -62.7 | -4 | 0 | 0 | 0 | 115.9 | K1779 | D1777-K1779 HydrophobicContact CB-CD 3.82Å; D1777-K1779 HydrophobicContact CB-CG 4.06Å; D1777-K1779 PolarHBondContact O-N 2.9Å; D1777-K1779 WeakPolarHBondContact OD2-CE 3.32Å; D1777-K1779 IonicContact OD2-NZ 3.6Å; D1777-K1779 PolarHBondContact OD2-NZ 2.89Å | ||
| 1778 | G | 43.7 | Very low | 57.2 | Low | 89 Ų | 89 | 73 Ų | 73 | 92% | 0.918 | 42% | 0.416 | S | S | * | . | trans | -74.7 | 52.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1779 | K | 55.1 | Low | 59.9 | Low | 109 Ų | 109 | 67.7 Ų | 67.7 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 148.5 | -179.1 | -68.5 | 168.9 | -175.5 | 163.4 | 0 | 110.2 | D1777 | D1777-K1779 HydrophobicContact CB-CD 3.82Å; D1777-K1779 HydrophobicContact CB-CG 4.06Å; D1777-K1779 PolarHBondContact O-N 2.9Å; D1777-K1779 WeakPolarHBondContact OD2-CE 3.32Å; D1777-K1779 IonicContact OD2-NZ 3.6Å; D1777-K1779 PolarHBondContact OD2-NZ 2.89Å |
| 1780 | P | 61.6 | Low | 62 | Low | 66 Ų | 66 | 65.6 Ų | 65.6 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 148 | 172.7 | 28.1 | -34.6 | 0 | 0 | 0 | 110.9 | ||
| 1781 | P | 72.6 | Confident | 64.4 | Low | 21 Ų | 21 | 59.2 Ų | 59.2 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -65 | 148.9 | 174.8 | 28.8 | -35 | 0 | 0 | 0 | 111 | H1748 L1751 N1853 | H1748-P1781 PolarHBondContact CE1-O 2.88Å; H1748-P1781 VanDerWaalsContact CE1-O 3.23Å; L1751-P1781 HydrophobicContact CB-CG 4Å; L1751-P1781 HydrophobicContact CD1-CB 3.94Å; L1751-P1781 HydrophobicContact CD1-CG 3.95Å; P1781-N1853 HydrophobicContact CB-CB 4.11Å |
| 1782 | I | 88.7 | Confident | 66.9 | Low | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | trans | -132.4 | 136.8 | 178.6 | -49.7 | 178 | 0 | 0 | 0 | 108.4 | H1828 I1833 W1852 N1853 | I1782-H1828 WeakPolarHBondContact CD1-ND1 3.25Å; I1782-I1833 HydrophobicContact CG2-CD1 4.33Å; I1782-I1833 HydrophobicContact CG2-CG1 3.7Å; I1782-W1852 HydrophobicContact CB-CE3 4.38Å; I1782-W1852 HydrophobicContact CB-CZ3 4.41Å; I1782-W1852 HydrophobicContact CG2-CE3 4.06Å; I1782-W1852 HydrophobicContact CG2-CZ3 3.67Å; I1782-W1852 CarbonylContact O-C 3.53Å; I1782-W1852 WeakPolarHBondContact O-CA 3.46Å; I1782-N1853 PolarHBondContact O-N 2.95Å | ||
| 1783 | S | 93.1 | Very high | 69.3 | Low | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 149.9 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | H1748 D1831 V1832 I1833 Y1854 | H1748-S1783 PolarHBondContact NE2-OG 3.48Å; H1748-S1783 VanDerWaalsContact NE2-OG 3.14Å; S1783-D1831 PolarHBondContact N-O 3.29Å; S1783-V1832 WeakPolarHBondContact O-CA 3.33Å; S1783-I1833 PolarHBondContact O-N 3.04Å; S1783-Y1854 WeakPolarHBondContact CA-O 3.13Å; S1783-Y1854 PolarHBondContact OG-N 2.91Å |
| 1784 | L | 94.2 | Very high | 71.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.8 | -178.9 | -171.3 | 65.4 | 0 | 0 | 0 | 110.9 | I1786 I1833 T1835 W1852 Y1854 I1855 V1856 L1877 | L1784-I1786 HydrophobicContact CD2-CD1 3.85Å; L1784-I1786 HydrophobicContact CD2-CG1 3.87Å; L1784-I1786 HydrophobicContact CG-CD1 4.42Å; L1784-I1786 HydrophobicContact CG-CG1 3.91Å; L1784-I1833 CarbonylContact C-O 3.22Å; L1784-I1833 WeakPolarHBondContact CA-O 3.19Å; L1784-I1833 HydrophobicContact CD1-CB 4.02Å; L1784-I1833 HydrophobicContact CD1-CG2 4.01Å; L1784-T1835 HydrophobicContact CD1-CG2 3.66Å; L1784-T1835 HydrophobicContact CG-CG2 4.23Å; L1784-W1852 HydrophobicContact CB-CD2 3.81Å; L1784-W1852 HydrophobicContact CB-CE3 3.6Å; L1784-W1852 HydrophobicContact CB-CG 4.38Å; L1784-W1852 HydrophobicContact CB-CH2 4.33Å; L1784-W1852 HydrophobicContact CB-CZ3 3.86Å; L1784-W1852 HydrophobicContact CD1-CH2 3.81Å; L1784-W1852 HydrophobicContact CD1-CZ2 4.19Å; L1784-W1852 HydrophobicContact CD1-CZ3 4.02Å; L1784-W1852 HydrophobicContact CD2-CD2 4.36Å; L1784-W1852 HydrophobicContact CD2-CZ2 4.15Å; L1784-W1852 HydrophobicContact CG-CH2 4.46Å; L1784-W1852 HydrophobicContact CG-CZ3 4.44Å; L1784-Y1854 PolarHBondContact N-O 2.84Å; L1784-I1855 HydrophobicContact CB-CG1 4.21Å; L1784-I1855 HydrophobicContact CD2-CG1 4.45Å; L1784-I1855 WeakPolarHBondContact O-CA 3.41Å; L1784-V1856 PolarHBondContact O-N 2.65Å; L1784-L1877 HydrophobicContact CD2-CD1 3.96Å |
| 1785 | V | 94.7 | Very high | 73.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 113.5 | 169.5 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | L1744 W1795 V1832 I1833 I1834 T1835 V1856 | L1744-V1785 HydrophobicContact CD1-CG2 4.43Å; V1785-W1795 HydrophobicContact CG1-CD2 3.7Å; V1785-W1795 HydrophobicContact CG1-CE3 3.91Å; V1785-W1795 HydrophobicContact CG1-CG 4.14Å; V1785-W1795 HydrophobicContact CG1-CH2 4.28Å; V1785-W1795 HydrophobicContact CG1-CZ2 4.1Å; V1785-W1795 HydrophobicContact CG1-CZ3 4.2Å; V1785-W1795 HydrophobicContact CG2-CE3 4.38Å; V1785-W1795 HydrophobicContact CG2-CZ3 4.39Å; V1785-V1832 HydrophobicContact CG2-CG1 3.88Å; V1785-I1833 PolarHBondContact N-O 2.78Å; V1785-I1834 WeakPolarHBondContact O-CA 3.29Å; V1785-T1835 PolarHBondContact O-N 2.89Å; V1785-V1856 HydrophobicContact CG2-CB 4.32Å |
| 1786 | I | 94.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.5 | 175.6 | -53.4 | 175.9 | 0 | 0 | 0 | 107.4 | L1784 T1835 Y1837 V1840 I1855 V1856 L1857 D1858 V1874 L1877 | L1784-I1786 HydrophobicContact CD2-CD1 3.85Å; L1784-I1786 HydrophobicContact CD2-CG1 3.87Å; L1784-I1786 HydrophobicContact CG-CD1 4.42Å; L1784-I1786 HydrophobicContact CG-CG1 3.91Å; I1786-T1835 HydrophobicContact CB-CG2 4.44Å; I1786-T1835 HydrophobicContact CG1-CG2 3.86Å; I1786-Y1837 HydrophobicContact CG2-CD1 3.54Å; I1786-Y1837 HydrophobicContact CG2-CD2 4.03Å; I1786-Y1837 HydrophobicContact CG2-CE1 3.65Å; I1786-Y1837 HydrophobicContact CG2-CE2 4.11Å; I1786-Y1837 HydrophobicContact CG2-CG 3.75Å; I1786-V1840 HydrophobicContact CD1-CG1 4.49Å; I1786-V1840 HydrophobicContact CD1-CG2 3.94Å; I1786-V1840 HydrophobicContact CG1-CG2 4.11Å; I1786-V1840 HydrophobicContact CG2-CG2 4.15Å; I1786-I1855 HydrophobicContact CD1-CG2 4.11Å; I1786-V1856 PolarHBondContact N-O 3.26Å; I1786-L1857 HydrophobicContact CB-CD2 3.86Å; I1786-L1857 HydrophobicContact CD1-CD2 3.69Å; I1786-L1857 HydrophobicContact CG1-CD2 4.17Å; I1786-L1857 HydrophobicContact CG2-CD2 4.45Å; I1786-D1858 PolarHBondContact O-N 3.33Å; I1786-V1874 HydrophobicContact CD1-CG2 4.39Å; I1786-L1877 HydrophobicContact CD1-CD1 3.83Å |
| 1787 | C | 90.6 | Very high | 78.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 168.7 | -179.3 | 58.8 | 0 | 0 | 0 | 0 | 111 | L1791 C1792 T1835 S1836 Y1837 D1858 | C1787-L1791 HydrophobicContact CB-CB 4.15Å; C1787-C1792 PolarHBondContact SG-SG 3.26Å; C1787-T1835 PolarHBondContact N-O 3.48Å; C1787-T1835 VanDerWaalsContact N-O 3.09Å; C1787-T1835 PolarHBondContact SG-O 3.01Å; C1787-S1836 WeakPolarHBondContact O-CA 3.01Å; C1787-Y1837 WeakPolarHBondContact O-CD2 3.42Å; C1787-Y1837 PolarHBondContact O-N 2.95Å; C1787-D1858 HydrophobicContact CB-CB 3.78Å |
| 1788 | P | 84.4 | Confident | 80.6 | Confident | 29 Ų | 29 | 35 Ų | 35 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | trans | -50.1 | 141.4 | 161.9 | -27.2 | 35.6 | 0 | 0 | 0 | 110.9 | T1790 L1791 E1859 I1862 | P1788-T1790 PolarHBondContact O-N 3.33Å; P1788-L1791 HydrophobicContact CB-CG 4.4Å; P1788-L1791 HydrophobicContact CG-CD1 4.14Å; P1788-L1791 PolarHBondContact O-N 3.26Å; P1788-E1859 HydrophobicContact CG-CB 4.27Å; P1788-E1859 HydrophobicContact CG-CG 4.36Å; P1788-I1862 HydrophobicContact CG-CD1 4.39Å | ||
| 1789 | S | 80.4 | Confident | 82.8 | Confident | 77 Ų | 77 | 30.9 Ų | 30.9 | 54% | 0.538 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -15.5 | -178.8 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1790 | T | 71.7 | Confident | 84.3 | Confident | 56 Ų | 56 | 30.8 Ų | 30.8 | 34% | 0.344 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -23 | -179.1 | 57 | 0 | 0 | 0 | 0 | 113.8 | P1788 L2197 | P1788-T1790 PolarHBondContact O-N 3.33Å; T1790-L2197 HydrophobicContact CG2-CD2 3.21Å |
| 1791 | L | 78.6 | Confident | 85.4 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -10.7 | 179.2 | -64.3 | -175.8 | 0 | 0 | 0 | 112.7 | C1787 P1788 A1793 H1794 W1795 D1858 L2197 | C1787-L1791 HydrophobicContact CB-CB 4.15Å; P1788-L1791 HydrophobicContact CB-CG 4.4Å; P1788-L1791 HydrophobicContact CG-CD1 4.14Å; P1788-L1791 PolarHBondContact O-N 3.26Å; L1791-A1793 VanDerWaalsContact C-N 3.27Å; L1791-A1793 PolarHBondContact O-N 3.39Å; L1791-H1794 WeakPolarHBondContact O-CA 3.34Å; L1791-H1794 WeakPolarHBondContact O-CB 3.23Å; L1791-H1794 PolarHBondContact O-N 3.5Å; L1791-W1795 PolarHBondContact O-N 3.23Å; L1791-D1858 WeakPolarHBondContact CD1-OD2 3.47Å; L1791-L2197 WeakPolarHBondContact CD2-O 3.45Å |
| 1792 | C | 84.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.081 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.8 | -39.8 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | C1787 F1796 I1812 I1834 | C1787-C1792 PolarHBondContact SG-SG 3.26Å; C1792-F1796 PolarHBondContact O-N 3.24Å; C1792-I1812 HydrophobicContact CB-CG2 4.32Å; C1792-I1834 HydrophobicContact CB-CG2 3.95Å |
| 1793 | A | 78.4 | Confident | 85.9 | Confident | 50 Ų | 50 | 32.5 Ų | 32.5 | 41% | 0.413 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -74 | -29.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1791 H1797 | L1791-A1793 VanDerWaalsContact C-N 3.27Å; L1791-A1793 PolarHBondContact O-N 3.39Å; A1793-H1797 PolarHBondContact O-N 2.94Å; A1793-H1797 VanDerWaalsContact O-N 3.13Å |
| 1794 | H | 81.2 | Confident | 85.2 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -49.1 | 176.1 | 174.8 | -131.6 | 0 | 0 | 0 | 110.5 | L1791 F1796 H1797 E1798 | L1791-H1794 WeakPolarHBondContact O-CA 3.34Å; L1791-H1794 WeakPolarHBondContact O-CB 3.23Å; L1791-H1794 PolarHBondContact O-N 3.5Å; H1794-F1796 VanDerWaalsContact C-N 3.29Å; H1794-F1796 PolarHBondContact O-N 3.36Å; H1794-H1797 PolarHBondContact O-N 3.42Å; H1794-E1798 IonicContact CD2-OE1 2.64Å; H1794-E1798 IonicContact CE1-OE1 2.83Å; H1794-E1798 WeakPolarHBondContact NE2-CG 3.34Å; H1794-E1798 IonicContact NE2-OE1 3.89Å; H1794-E1798 PolarHBondContact NE2-OE1 2.69Å; H1794-E1798 VanDerWaalsContact O-CG 3.31Å; H1794-E1798 WeakPolarHBondContact O-CG 3.44Å; H1794-E1798 PolarHBondContact O-N 3.38Å |
| 1795 | W | 87.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.3 | -42.4 | 173 | -84.7 | 93.2 | 0 | 0 | 0 | 112.9 | T1737 T1740 I1741 V1785 L1791 E1798 I1799 I1834 V1856 D1858 L1885 | T1737-W1795 HydrophobicContact CG2-CD2 4Å; T1737-W1795 HydrophobicContact CG2-CE3 3.85Å; T1737-W1795 HydrophobicContact CG2-CH2 3.94Å; T1737-W1795 HydrophobicContact CG2-CZ2 4.06Å; T1737-W1795 HydrophobicContact CG2-CZ3 3.83Å; T1740-W1795 HydrophobicContact CG2-CH2 3.94Å; T1740-W1795 HydrophobicContact CG2-CZ3 4.26Å; I1741-W1795 HydrophobicContact CG1-CZ3 4.4Å; V1785-W1795 HydrophobicContact CG1-CD2 3.7Å; V1785-W1795 HydrophobicContact CG1-CE3 3.91Å; V1785-W1795 HydrophobicContact CG1-CG 4.14Å; V1785-W1795 HydrophobicContact CG1-CH2 4.28Å; V1785-W1795 HydrophobicContact CG1-CZ2 4.1Å; V1785-W1795 HydrophobicContact CG1-CZ3 4.2Å; V1785-W1795 HydrophobicContact CG2-CE3 4.38Å; V1785-W1795 HydrophobicContact CG2-CZ3 4.39Å; L1791-W1795 PolarHBondContact O-N 3.23Å; W1795-E1798 PolarHBondContact O-N 2.94Å; W1795-I1799 WeakPolarHBondContact O-CD1 3.19Å; W1795-I1799 VanDerWaalsContact O-CG1 3.28Å; W1795-I1799 WeakPolarHBondContact O-CG1 3.13Å; W1795-I1799 PolarHBondContact O-N 3.33Å; W1795-I1834 HydrophobicContact CB-CD1 3.97Å; W1795-I1834 HydrophobicContact CB-CG1 4.45Å; W1795-I1834 HydrophobicContact CB-CG2 4.11Å; W1795-V1856 HydrophobicContact CH2-CG1 4.33Å; W1795-D1858 HydrophobicContact CZ2-CB 4.19Å; W1795-D1858 PolarHBondContact NE1-OD2 2.86Å; W1795-L1885 HydrophobicContact CH2-CD1 3.88Å; W1795-L1885 HydrophobicContact CZ2-CD1 3.77Å |
| 1796 | F | 87.8 | Confident | 83.3 | Confident | 59 Ų | 59 | 49.8 Ų | 49.8 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.5 | -177.7 | -94.1 | 0 | 0 | 0 | 112.1 | C1792 H1794 Q1800 P1810 I1812 I1834 | C1792-F1796 PolarHBondContact O-N 3.24Å; H1794-F1796 VanDerWaalsContact C-N 3.29Å; H1794-F1796 PolarHBondContact O-N 3.36Å; F1796-Q1800 VanDerWaalsContact CE1-CD 3.44Å; F1796-Q1800 HydrophobicContact CE1-CG 4.44Å; F1796-Q1800 WeakPolarHBondContact O-CG 3.3Å; F1796-Q1800 PolarHBondContact O-N 3.48Å; F1796-P1810 HydrophobicContact CD2-CB 4.01Å; F1796-P1810 HydrophobicContact CD2-CG 3.9Å; F1796-P1810 HydrophobicContact CE2-CB 4.33Å; F1796-P1810 HydrophobicContact CE2-CG 3.9Å; F1796-I1812 HydrophobicContact CB-CD1 3.78Å; F1796-I1812 HydrophobicContact CB-CG1 3.94Å; F1796-I1812 HydrophobicContact CD1-CD1 4.42Å; F1796-I1812 HydrophobicContact CD2-CD1 4.08Å; F1796-I1812 HydrophobicContact CD2-CG1 3.78Å; F1796-I1812 HydrophobicContact CG-CD1 3.85Å; F1796-I1812 HydrophobicContact CG-CG1 4Å; F1796-I1834 HydrophobicContact CB-CD1 3.85Å; F1796-I1834 HydrophobicContact CD2-CD1 4.39Å |
| 1797 | H | 83.8 | Confident | 82.5 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 177.3 | -178.2 | -73.7 | 0 | 0 | 0 | 112.5 | A1793 H1794 I1799 Q1800 H1801 | A1793-H1797 PolarHBondContact O-N 2.94Å; A1793-H1797 VanDerWaalsContact O-N 3.13Å; H1794-H1797 PolarHBondContact O-N 3.42Å; H1797-I1799 VanDerWaalsContact C-N 3.35Å; H1797-I1799 PolarHBondContact O-N 3.29Å; H1797-Q1800 PolarHBondContact O-N 3Å; H1797-H1801 WeakPolarHBondContact O-CB 3.13Å; H1797-H1801 PolarHBondContact O-N 3.42Å |
| 1798 | E | 86.8 | Confident | 82.2 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | -179.4 | -63.4 | -77 | -148.2 | 0 | 0 | 111.8 | T1737 I1741 H1794 W1795 H1801 F1802 | T1737-E1798 HydrophobicContact CG2-CB 4.27Å; T1737-E1798 HydrophobicContact CG2-CG 4.34Å; I1741-E1798 HydrophobicContact CD1-CB 3.86Å; H1794-E1798 IonicContact CD2-OE1 2.64Å; H1794-E1798 IonicContact CE1-OE1 2.83Å; H1794-E1798 WeakPolarHBondContact NE2-CG 3.34Å; H1794-E1798 IonicContact NE2-OE1 3.89Å; H1794-E1798 PolarHBondContact NE2-OE1 2.69Å; H1794-E1798 VanDerWaalsContact O-CG 3.31Å; H1794-E1798 WeakPolarHBondContact O-CG 3.44Å; H1794-E1798 PolarHBondContact O-N 3.38Å; W1795-E1798 PolarHBondContact O-N 2.94Å; E1798-H1801 PolarHBondContact O-N 3.26Å; E1798-F1802 HydrophobicContact CB-CD2 4.35Å; E1798-F1802 VanDerWaalsContact O-CD2 3.25Å; E1798-F1802 WeakPolarHBondContact O-CD2 3.48Å; E1798-F1802 PolarHBondContact O-N 2.87Å; E1798-F1802 VanDerWaalsContact OE2-CE2 3.26Å; E1798-F1802 WeakPolarHBondContact OE2-CE2 3.31Å |
| 1799 | I | 88.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.5 | -68.1 | 164.4 | 0 | 0 | 0 | 110.4 | I1741 W1795 H1797 H1801 A1803 L1808 P1810 V1832 I1834 | I1741-I1799 HydrophobicContact CD1-CG1 3.92Å; I1741-I1799 HydrophobicContact CG1-CG1 3.95Å; W1795-I1799 WeakPolarHBondContact O-CD1 3.19Å; W1795-I1799 VanDerWaalsContact O-CG1 3.28Å; W1795-I1799 WeakPolarHBondContact O-CG1 3.13Å; W1795-I1799 PolarHBondContact O-N 3.33Å; H1797-I1799 VanDerWaalsContact C-N 3.35Å; H1797-I1799 PolarHBondContact O-N 3.29Å; I1799-H1801 VanDerWaalsContact C-N 3.26Å; I1799-H1801 PolarHBondContact O-N 3.31Å; I1799-A1803 PolarHBondContact O-N 3.4Å; I1799-L1808 HydrophobicContact CG2-CB 4.16Å; I1799-P1810 HydrophobicContact CB-CB 4.42Å; I1799-P1810 HydrophobicContact CB-CG 4.31Å; I1799-P1810 HydrophobicContact CD1-CB 4.15Å; I1799-P1810 HydrophobicContact CG2-CB 4.04Å; I1799-P1810 HydrophobicContact CG2-CG 3.82Å; I1799-V1832 HydrophobicContact CD1-CG1 4.04Å; I1799-I1834 HydrophobicContact CD1-CD1 4.14Å |
| 1800 | Q | 86.9 | Confident | 82.9 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -25.9 | 177 | -71.3 | -172 | -38 | 0 | 0 | 114 | F1796 H1797 P1810 | F1796-Q1800 VanDerWaalsContact CE1-CD 3.44Å; F1796-Q1800 HydrophobicContact CE1-CG 4.44Å; F1796-Q1800 WeakPolarHBondContact O-CG 3.3Å; F1796-Q1800 PolarHBondContact O-N 3.48Å; H1797-Q1800 PolarHBondContact O-N 3Å; Q1800-P1810 HydrophobicContact CG-CG 4.28Å |
| 1801 | H | 84.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -77 | -50.3 | 177.5 | 179 | -94.5 | 0 | 0 | 0 | 111.4 | N1702 H1797 E1798 I1799 | N1702-H1801 WeakPolarHBondContact CB-O 3.26Å; N1702-H1801 PolarHBondContact ND2-O 3.28Å; H1797-H1801 WeakPolarHBondContact O-CB 3.13Å; H1797-H1801 PolarHBondContact O-N 3.42Å; E1798-H1801 PolarHBondContact O-N 3.26Å; I1799-H1801 VanDerWaalsContact C-N 3.26Å; I1799-H1801 PolarHBondContact O-N 3.31Å |
| 1802 | F | 86.5 | Confident | 84.3 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -88.3 | -29 | -171.2 | -70.2 | -61.1 | 0 | 0 | 0 | 115 | I1701 N1702 L1738 I1741 E1798 | I1701-F1802 WeakPolarHBondContact CA-O 3.35Å; I1701-F1802 HydrophobicContact CG2-CB 4.16Å; I1701-F1802 HydrophobicContact CG2-CD1 4.33Å; N1702-F1802 PolarHBondContact N-O 3.23Å; L1738-F1802 HydrophobicContact CD1-CB 4.27Å; L1738-F1802 HydrophobicContact CD1-CD1 3.76Å; L1738-F1802 HydrophobicContact CD1-CD2 3.82Å; L1738-F1802 HydrophobicContact CD1-CE1 4Å; L1738-F1802 HydrophobicContact CD1-CE2 4.05Å; L1738-F1802 HydrophobicContact CD1-CG 3.68Å; L1738-F1802 HydrophobicContact CD1-CZ 4.14Å; L1738-F1802 HydrophobicContact CD2-CE1 4.47Å; L1738-F1802 HydrophobicContact CD2-CZ 4.43Å; I1741-F1802 HydrophobicContact CD1-CD2 4.33Å; I1741-F1802 HydrophobicContact CG2-CB 4.42Å; E1798-F1802 HydrophobicContact CB-CD2 4.35Å; E1798-F1802 VanDerWaalsContact O-CD2 3.25Å; E1798-F1802 WeakPolarHBondContact O-CD2 3.48Å; E1798-F1802 PolarHBondContact O-N 2.87Å; E1798-F1802 VanDerWaalsContact OE2-CE2 3.26Å; E1798-F1802 WeakPolarHBondContact OE2-CE2 3.31Å |
| 1803 | A | 84.5 | Confident | 84.6 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -119.4 | 149.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1799 L1808 | I1799-A1803 PolarHBondContact O-N 3.4Å; A1803-L1808 HydrophobicContact CB-CB 4.17Å; A1803-L1808 HydrophobicContact CB-CD1 4Å |
| 1804 | Q | 79.6 | Confident | 84.9 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | trans | -80.8 | 151.5 | 174.1 | -56.7 | -168.9 | 4.9 | 0 | 0 | 110.1 | E1806 D1807 L1808 | Q1804-E1806 PolarHBondContact O-N 3.29Å; Q1804-D1807 PolarHBondContact O-N 3.41Å; Q1804-L1808 PolarHBondContact O-N 2.77Å; Q1804-L1808 VanDerWaalsContact O-N 3.16Å | ||
| 1805 | T | 75.3 | Confident | 84.9 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19 | -179.5 | -37.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1806 | E | 74.3 | Confident | 84.8 | Confident | 171 Ų | 171 | 51.5 Ų | 51.5 | 80% | 0.799 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -30.7 | 175.6 | -60.2 | -176.2 | -174 | 0 | 0 | 112.3 | Q1804 | Q1804-E1806 PolarHBondContact O-N 3.29Š|
| 1807 | D | 76.6 | Confident | 84.6 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -50.2 | 179.8 | -58.9 | -56.4 | 0 | 0 | 0 | 111.7 | I1699 K1752 Q1804 | I1699-D1807 HydrophobicContact CD1-CB 4.4Å; I1699-D1807 HydrophobicContact CG2-CB 4.17Å; I1699-D1807 WeakPolarHBondContact CG2-OD2 3.29Å; K1752-D1807 PolarHBondContact NZ-O 2.93Å; Q1804-D1807 PolarHBondContact O-N 3.41Å |
| 1808 | L | 85 | Confident | 84.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | trans | -137.7 | 109.5 | -177.1 | -77.4 | 174.2 | 0 | 0 | 0 | 111 | I1741 A1745 H1748 I1799 A1803 Q1804 P1810 D1831 V1832 | I1741-L1808 HydrophobicContact CG2-CD1 4.22Å; A1745-L1808 HydrophobicContact CB-CD1 3.56Å; A1745-L1808 HydrophobicContact CB-CG 4.09Å; H1748-L1808 HydrophobicContact CB-CD2 4.37Å; I1799-L1808 HydrophobicContact CG2-CB 4.16Å; A1803-L1808 HydrophobicContact CB-CB 4.17Å; A1803-L1808 HydrophobicContact CB-CD1 4Å; Q1804-L1808 PolarHBondContact O-N 2.77Å; Q1804-L1808 VanDerWaalsContact O-N 3.16Å; L1808-P1810 WeakPolarHBondContact O-CD 3.25Å; L1808-D1831 HydrophobicContact CD2-CB 4.39Å; L1808-V1832 HydrophobicContact CD2-CG2 3.77Å | ||
| 1809 | N | 87.6 | Confident | 84.6 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | trans | -98 | 108.6 | 174.3 | -176.2 | 19.9 | 0 | 0 | 0 | 112.2 | Q1829 Y1830 D1831 V1832 | N1809-Q1829 PolarHBondContact ND2-O 3.4Å; N1809-Y1830 VanDerWaalsContact ND2-CD1 3.26Å; N1809-Y1830 WeakPolarHBondContact ND2-CD1 3.32Å; N1809-Y1830 WeakPolarHBondContact OD1-CD1 3.45Å; N1809-D1831 PolarHBondContact N-OD2 3.01Å; N1809-D1831 PolarHBondContact O-N 2.65Å; N1809-V1832 PolarHBondContact O-N 3.48Å | ||
| 1810 | P | 91.6 | Very high | 84.5 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 5% | 0.045 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 148.2 | -177.2 | 34.8 | -35.2 | 0 | 0 | 0 | 114.4 | F1796 I1799 Q1800 L1808 V1832 I1834 | F1796-P1810 HydrophobicContact CD2-CB 4.01Å; F1796-P1810 HydrophobicContact CD2-CG 3.9Å; F1796-P1810 HydrophobicContact CE2-CB 4.33Å; F1796-P1810 HydrophobicContact CE2-CG 3.9Å; I1799-P1810 HydrophobicContact CB-CB 4.42Å; I1799-P1810 HydrophobicContact CB-CG 4.31Å; I1799-P1810 HydrophobicContact CD1-CB 4.15Å; I1799-P1810 HydrophobicContact CG2-CB 4.04Å; I1799-P1810 HydrophobicContact CG2-CG 3.82Å; Q1800-P1810 HydrophobicContact CG-CG 4.28Å; L1808-P1810 WeakPolarHBondContact O-CD 3.25Å; P1810-V1832 CarbonylContact C-O 3.53Å; P1810-V1832 WeakPolarHBondContact CA-O 3.14Å; P1810-I1834 HydrophobicContact CB-CD1 4.24Å |
| 1811 | L | 90.9 | Very high | 84.3 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.4 | 170.2 | 179.3 | 66.7 | 0 | 0 | 0 | 111.6 | L1823 L1827 Y1830 V1832 I1833 I1834 | L1811-L1823 HydrophobicContact CD1-CD2 4.28Å; L1811-L1823 HydrophobicContact CD2-CD2 4.47Å; L1811-L1827 HydrophobicContact CD2-CD2 3.98Å; L1811-Y1830 HydrophobicContact CB-CD1 3.74Å; L1811-Y1830 HydrophobicContact CB-CD2 4.08Å; L1811-Y1830 HydrophobicContact CB-CE1 4.16Å; L1811-Y1830 HydrophobicContact CB-CE2 4.47Å; L1811-Y1830 HydrophobicContact CB-CG 3.7Å; L1811-Y1830 HydrophobicContact CD1-CE1 4.28Å; L1811-Y1830 HydrophobicContact CD1-CE2 4.2Å; L1811-Y1830 HydrophobicContact CD2-CD2 3.84Å; L1811-Y1830 HydrophobicContact CD2-CE2 4.02Å; L1811-Y1830 HydrophobicContact CD2-CG 4.32Å; L1811-Y1830 HydrophobicContact CG-CD2 4.39Å; L1811-Y1830 HydrophobicContact CG-CE2 4.46Å; L1811-Y1830 HydrophobicContact CG-CG 4.49Å; L1811-V1832 PolarHBondContact N-O 3.25Å; L1811-I1833 HydrophobicContact CB-CD1 4.04Å; L1811-I1833 HydrophobicContact CD2-CD1 4.2Å; L1811-I1834 PolarHBondContact O-N 3.44Å |
| 1812 | I | 89.8 | Confident | 84.3 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 112.9 | 167.6 | -58.1 | 174.4 | 0 | 0 | 0 | 109.3 | C1792 F1796 G1814 | C1792-I1812 HydrophobicContact CB-CG2 4.32Å; F1796-I1812 HydrophobicContact CB-CD1 3.78Å; F1796-I1812 HydrophobicContact CB-CG1 3.94Å; F1796-I1812 HydrophobicContact CD1-CD1 4.42Å; F1796-I1812 HydrophobicContact CD2-CD1 4.08Å; F1796-I1812 HydrophobicContact CD2-CG1 3.78Å; F1796-I1812 HydrophobicContact CG-CD1 3.85Å; F1796-I1812 HydrophobicContact CG-CG1 4Å; I1812-G1814 PolarHBondContact O-N 2.99Å |
| 1813 | Y | 90.7 | Very high | 84.3 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | trans | -84.7 | 104 | 171 | -171.1 | -100.8 | 0 | 0 | 0 | 110 | R1820 L1823 Q1824 L1827 I1834 L1839 D1843 | Y1813-R1820 HydrophobicContact CE1-CG 4.42Å; Y1813-R1820 HydrophobicContact CE2-CB 4.35Å; Y1813-L1823 HydrophobicContact CD2-CB 4.12Å; Y1813-L1823 HydrophobicContact CD2-CD1 4.39Å; Y1813-L1823 HydrophobicContact CE2-CB 4.14Å; Y1813-Q1824 HydrophobicContact CE2-CG 4.09Å; Y1813-Q1824 WeakPolarHBondContact OH-CG 3.45Å; Y1813-Q1824 PolarHBondContact OH-NE2 3.14Å; Y1813-L1827 HydrophobicContact CD2-CD2 4.27Å; Y1813-I1834 PolarHBondContact N-O 2.97Å; Y1813-L1839 WeakPolarHBondContact O-CD1 3.32Å; Y1813-D1843 WeakPolarHBondContact CE1-OD2 3.39Å; Y1813-D1843 PolarHBondContact OH-OD2 3.25Å | ||
| 1814 | G | 84.5 | Confident | 84.3 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | trans | -169.9 | -177.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1812 | I1812-G1814 PolarHBondContact O-N 2.99Š| ||
| 1815 | G | 81.4 | Confident | 84.3 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 102.6 | -167.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1816 | S | 84.2 | Confident | 84.6 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 43% | 0.427 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -68.4 | 161.1 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | S1818 V1819 R1820 | S1816-S1818 PolarHBondContact O-N 3Å; S1816-S1818 VanDerWaalsContact O-N 3.12Å; S1816-V1819 PolarHBondContact O-N 3.45Å; S1816-R1820 WeakPolarHBondContact O-CG 3.43Å; S1816-R1820 PolarHBondContact O-N 3.4Å |
| 1817 | P | 84.2 | Confident | 85 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 51% | 0.506 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -48.8 | -40.1 | 176.6 | -30.3 | 36.8 | 0 | 0 | 0 | 114.2 | R1820 Q1821 | P1817-R1820 PolarHBondContact O-N 3.46Å; P1817-Q1821 WeakPolarHBondContact O-CG 3.38Å; P1817-Q1821 PolarHBondContact O-N 3.28Å |
| 1818 | S | 84.3 | Confident | 85 | Confident | 76 Ų | 76 | 55.1 Ų | 55.1 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.1 | -42.3 | 0 | 0 | 0 | 0 | 113.3 | S1816 N1822 | S1816-S1818 PolarHBondContact O-N 3Å; S1816-S1818 VanDerWaalsContact O-N 3.12Å; S1818-N1822 PolarHBondContact O-N 3.43Å; S1818-N1822 PolarHBondContact O-ND2 2.88Å |
| 1819 | V | 86 | Confident | 84.9 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 110 | S1816 Q1821 N1822 L1823 | S1816-V1819 PolarHBondContact O-N 3.45Å; V1819-Q1821 PolarHBondContact O-N 2.75Å; V1819-N1822 WeakPolarHBondContact O-CB 3.48Å; V1819-N1822 PolarHBondContact O-N 3.4Å; V1819-N1822 VanDerWaalsContact O-N 3.14Å; V1819-L1823 HydrophobicContact CG1-CD1 4.13Å; V1819-L1823 HydrophobicContact CG1-CG 4.4Å; V1819-L1823 WeakPolarHBondContact O-CG 3.46Å; V1819-L1823 PolarHBondContact O-N 2.91Å |
| 1820 | R | 86.4 | Confident | 84.9 | Confident | 29 Ų | 29 | 62.2 Ų | 62.2 | 11% | 0.109 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -39.3 | 179.4 | -65.3 | -176.9 | -50.6 | 163.1 | 12.6 | 112.8 | Y1813 S1816 P1817 N1822 L1823 Q1824 L1839 S1842 D1843 | Y1813-R1820 HydrophobicContact CE1-CG 4.42Å; Y1813-R1820 HydrophobicContact CE2-CB 4.35Å; S1816-R1820 WeakPolarHBondContact O-CG 3.43Å; S1816-R1820 PolarHBondContact O-N 3.4Å; P1817-R1820 PolarHBondContact O-N 3.46Å; R1820-N1822 VanDerWaalsContact C-N 3.34Å; R1820-N1822 PolarHBondContact O-N 3.46Å; R1820-L1823 PolarHBondContact O-N 3.35Å; R1820-L1823 VanDerWaalsContact O-N 3.16Å; R1820-Q1824 VanDerWaalsContact O-CG 3.31Å; R1820-Q1824 WeakPolarHBondContact O-CG 3.46Å; R1820-Q1824 PolarHBondContact O-N 3.5Å; R1820-L1839 VanDerWaalsContact NH1-CD2 3.32Å; R1820-S1842 PolarHBondContact NH1-OG 3.39Å; R1820-D1843 VanDerWaalsContact CZ-CG 3.49Å; R1820-D1843 IonicContact CZ-OD1 3.74Å; R1820-D1843 IonicContact CZ-OD2 3.73Å; R1820-D1843 IonicContact NE-OD2 3.92Å; R1820-D1843 IonicContact NH1-OD1 2.62Å; R1820-D1843 PolarHBondContact NH1-OD1 3.34Å; R1820-D1843 IonicContact NH1-OD2 3.95Å; R1820-D1843 PolarHBondContact NH1-OD2 2.66Å; R1820-D1843 IonicContact NH2-OD1 3.83Å; R1820-D1843 PolarHBondContact NH2-OD1 3.41Å; R1820-D1843 IonicContact NH2-OD2 3.15Å |
| 1821 | Q | 82.6 | Confident | 84.8 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.3 | -41.5 | 172.4 | -75.4 | 171.2 | -16.5 | 0 | 0 | 112.2 | P1817 V1819 L1823 Q1824 | P1817-Q1821 WeakPolarHBondContact O-CG 3.38Å; P1817-Q1821 PolarHBondContact O-N 3.28Å; V1819-Q1821 PolarHBondContact O-N 2.75Å; Q1821-L1823 VanDerWaalsContact C-N 3.31Å; Q1821-L1823 PolarHBondContact O-N 3.14Å; Q1821-Q1824 PolarHBondContact O-N 3.49Å |
| 1822 | N | 85.1 | Confident | 84.9 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.5 | -27.9 | 174.7 | -70.9 | -27.5 | 0 | 0 | 0 | 113.3 | S1818 V1819 R1820 S1825 | S1818-N1822 PolarHBondContact O-N 3.43Å; S1818-N1822 PolarHBondContact O-ND2 2.88Å; V1819-N1822 WeakPolarHBondContact O-CB 3.48Å; V1819-N1822 PolarHBondContact O-N 3.4Å; V1819-N1822 VanDerWaalsContact O-N 3.14Å; R1820-N1822 VanDerWaalsContact C-N 3.34Å; R1820-N1822 PolarHBondContact O-N 3.46Å; N1822-S1825 PolarHBondContact O-OG 2.94Å |
| 1823 | L | 86 | Confident | 85.1 | Confident | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.168 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -78 | -35.9 | 174.9 | -68.5 | 175.9 | 0 | 0 | 0 | 112.3 | L1811 Y1813 V1819 R1820 Q1821 S1825 K1826 L1827 | L1811-L1823 HydrophobicContact CD1-CD2 4.28Å; L1811-L1823 HydrophobicContact CD2-CD2 4.47Å; Y1813-L1823 HydrophobicContact CD2-CB 4.12Å; Y1813-L1823 HydrophobicContact CD2-CD1 4.39Å; Y1813-L1823 HydrophobicContact CE2-CB 4.14Å; V1819-L1823 HydrophobicContact CG1-CD1 4.13Å; V1819-L1823 HydrophobicContact CG1-CG 4.4Å; V1819-L1823 WeakPolarHBondContact O-CG 3.46Å; V1819-L1823 PolarHBondContact O-N 2.91Å; R1820-L1823 PolarHBondContact O-N 3.35Å; R1820-L1823 VanDerWaalsContact O-N 3.16Å; Q1821-L1823 VanDerWaalsContact C-N 3.31Å; Q1821-L1823 PolarHBondContact O-N 3.14Å; L1823-S1825 PolarHBondContact O-N 2.67Å; L1823-K1826 PolarHBondContact O-N 2.71Å; L1823-L1827 PolarHBondContact O-N 2.67Å |
| 1824 | Q | 84.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.8 | -39.1 | 179.7 | -78.8 | 167.8 | -11.6 | 0 | 0 | 112.7 | Y1813 R1820 Q1821 K1826 F1846 | Y1813-Q1824 HydrophobicContact CE2-CG 4.09Å; Y1813-Q1824 WeakPolarHBondContact OH-CG 3.45Å; Y1813-Q1824 PolarHBondContact OH-NE2 3.14Å; R1820-Q1824 VanDerWaalsContact O-CG 3.31Å; R1820-Q1824 WeakPolarHBondContact O-CG 3.46Å; R1820-Q1824 PolarHBondContact O-N 3.5Å; Q1821-Q1824 PolarHBondContact O-N 3.49Å; Q1824-K1826 VanDerWaalsContact C-N 3.26Å; Q1824-K1826 PolarHBondContact O-N 3.48Å; Q1824-F1846 HydrophobicContact CB-CD2 4.42Å; Q1824-F1846 HydrophobicContact CB-CE1 4.43Å; Q1824-F1846 HydrophobicContact CB-CE2 3.89Å; Q1824-F1846 HydrophobicContact CB-CZ 3.93Å; Q1824-F1846 HydrophobicContact CG-CD1 3.93Å; Q1824-F1846 HydrophobicContact CG-CD2 3.97Å; Q1824-F1846 HydrophobicContact CG-CE1 3.83Å; Q1824-F1846 HydrophobicContact CG-CE2 3.85Å; Q1824-F1846 HydrophobicContact CG-CG 4.03Å; Q1824-F1846 HydrophobicContact CG-CZ 3.8Å |
| 1825 | S | 79.6 | Confident | 85.6 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 66% | 0.664 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15 | 177.7 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | N1822 L1823 | N1822-S1825 PolarHBondContact O-OG 2.94Å; L1823-S1825 PolarHBondContact O-N 2.67Å |
| 1826 | K | 82 | Confident | 86.1 | Confident | 103 Ų | 103 | 55.6 Ų | 55.6 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -5.8 | -176.9 | -61.8 | -173.8 | -179.2 | -174.6 | 0 | 114.3 | L1823 Q1824 H1828 Q1829 | L1823-K1826 PolarHBondContact O-N 2.71Å; Q1824-K1826 VanDerWaalsContact C-N 3.26Å; Q1824-K1826 PolarHBondContact O-N 3.48Å; K1826-H1828 PolarHBondContact O-N 3.24Å; K1826-H1828 VanDerWaalsContact O-N 3.15Å; K1826-Q1829 WeakPolarHBondContact O-CB 3.32Å; K1826-Q1829 PolarHBondContact O-N 3.47Å |
| 1827 | L | 81.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -56.9 | -34.8 | -171.8 | -71.3 | 167.8 | 0 | 0 | 0 | 113.8 | L1811 Y1813 L1823 Q1829 Y1830 I1833 F1846 | L1811-L1827 HydrophobicContact CD2-CD2 3.98Å; Y1813-L1827 HydrophobicContact CD2-CD2 4.27Å; L1823-L1827 PolarHBondContact O-N 2.67Å; L1827-Q1829 PolarHBondContact O-N 2.99Å; L1827-Y1830 PolarHBondContact O-N 3.5Å; L1827-I1833 HydrophobicContact CD2-CD1 3.52Å; L1827-I1833 HydrophobicContact CD2-CG1 3.89Å; L1827-I1833 HydrophobicContact CD2-CG2 3.92Å; L1827-F1846 HydrophobicContact CD1-CE1 3.32Å; L1827-F1846 HydrophobicContact CD1-CZ 3.5Å; L1827-F1846 VanDerWaalsContact CD1-CZ 3.5Å |
| 1828 | H | 77.9 | Confident | 86.6 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 49% | 0.486 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -68.9 | 0.7 | 177.3 | -62.8 | -60.8 | 0 | 0 | 0 | 115.2 | I1782 K1826 | I1782-H1828 WeakPolarHBondContact CD1-ND1 3.25Å; K1826-H1828 PolarHBondContact O-N 3.24Å; K1826-H1828 VanDerWaalsContact O-N 3.15Å |
| 1829 | Q | 82.6 | Confident | 86.8 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -96.8 | -2.4 | 176.1 | -58.7 | 177.9 | -11.8 | 0 | 0 | 113.2 | N1809 K1826 L1827 | N1809-Q1829 PolarHBondContact ND2-O 3.4Å; K1826-Q1829 WeakPolarHBondContact O-CB 3.32Å; K1826-Q1829 PolarHBondContact O-N 3.47Å; L1827-Q1829 PolarHBondContact O-N 2.99Å |
| 1830 | Y | 88.1 | Confident | 87.1 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | trans | -129.5 | 145 | -173 | -63.8 | -90.9 | 0 | 0 | 0 | 110.8 | N1809 L1811 L1827 | N1809-Y1830 VanDerWaalsContact ND2-CD1 3.26Å; N1809-Y1830 WeakPolarHBondContact ND2-CD1 3.32Å; N1809-Y1830 WeakPolarHBondContact OD1-CD1 3.45Å; L1811-Y1830 HydrophobicContact CB-CD1 3.74Å; L1811-Y1830 HydrophobicContact CB-CD2 4.08Å; L1811-Y1830 HydrophobicContact CB-CE1 4.16Å; L1811-Y1830 HydrophobicContact CB-CE2 4.47Å; L1811-Y1830 HydrophobicContact CB-CG 3.7Å; L1811-Y1830 HydrophobicContact CD1-CE1 4.28Å; L1811-Y1830 HydrophobicContact CD1-CE2 4.2Å; L1811-Y1830 HydrophobicContact CD2-CD2 3.84Å; L1811-Y1830 HydrophobicContact CD2-CE2 4.02Å; L1811-Y1830 HydrophobicContact CD2-CG 4.32Å; L1811-Y1830 HydrophobicContact CG-CD2 4.39Å; L1811-Y1830 HydrophobicContact CG-CE2 4.46Å; L1811-Y1830 HydrophobicContact CG-CG 4.49Å; L1827-Y1830 PolarHBondContact O-N 3.5Å | ||
| 1831 | D | 89.2 | Confident | 87.2 | Confident | 18 Ų | 18 | 53 Ų | 53 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -83.6 | -34.8 | -177.8 | -60.6 | -56.7 | 0 | 0 | 0 | 112.1 | H1748 K1752 S1783 L1808 N1809 | H1748-D1831 PolarHBondContact CE1-O 3.11Å; H1748-D1831 PolarHBondContact NE2-O 3.45Å; K1752-D1831 WeakPolarHBondContact CE-OD1 3.49Å; K1752-D1831 IonicContact NZ-OD1 3.85Å; K1752-D1831 PolarHBondContact NZ-OD1 2.81Å; K1752-D1831 IonicContact NZ-OD2 3.76Å; K1752-D1831 PolarHBondContact NZ-OD2 3.08Å; S1783-D1831 PolarHBondContact N-O 3.29Å; L1808-D1831 HydrophobicContact CD2-CB 4.39Å; N1809-D1831 PolarHBondContact N-OD2 3.01Å; N1809-D1831 PolarHBondContact O-N 2.65Å |
| 1832 | V | 91.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 123.4 | -175.4 | -179.8 | 0 | 0 | 0 | 0 | 111 | S1783 V1785 I1799 L1808 N1809 P1810 L1811 I1834 | S1783-V1832 WeakPolarHBondContact O-CA 3.33Å; V1785-V1832 HydrophobicContact CG2-CG1 3.88Å; I1799-V1832 HydrophobicContact CD1-CG1 4.04Å; L1808-V1832 HydrophobicContact CD2-CG2 3.77Å; N1809-V1832 PolarHBondContact O-N 3.48Å; P1810-V1832 CarbonylContact C-O 3.53Å; P1810-V1832 WeakPolarHBondContact CA-O 3.14Å; L1811-V1832 PolarHBondContact N-O 3.25Å; V1832-I1834 HydrophobicContact CG1-CG1 4.33Å |
| 1833 | I | 94 | Very high | 87.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.1 | 177.1 | -50.5 | -53.5 | 0 | 0 | 0 | 108.8 | I1782 S1783 L1784 V1785 L1811 L1827 W1852 | I1782-I1833 HydrophobicContact CG2-CD1 4.33Å; I1782-I1833 HydrophobicContact CG2-CG1 3.7Å; S1783-I1833 PolarHBondContact O-N 3.04Å; L1784-I1833 CarbonylContact C-O 3.22Å; L1784-I1833 WeakPolarHBondContact CA-O 3.19Å; L1784-I1833 HydrophobicContact CD1-CB 4.02Å; L1784-I1833 HydrophobicContact CD1-CG2 4.01Å; V1785-I1833 PolarHBondContact N-O 2.78Å; L1811-I1833 HydrophobicContact CB-CD1 4.04Å; L1811-I1833 HydrophobicContact CD2-CD1 4.2Å; L1827-I1833 HydrophobicContact CD2-CD1 3.52Å; L1827-I1833 HydrophobicContact CD2-CG1 3.89Å; L1827-I1833 HydrophobicContact CD2-CG2 3.92Å; I1833-W1852 HydrophobicContact CB-CH2 4.33Å; I1833-W1852 HydrophobicContact CB-CZ3 4.08Å; I1833-W1852 HydrophobicContact CG1-CH2 4.18Å; I1833-W1852 HydrophobicContact CG1-CZ3 3.82Å |
| 1834 | I | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.4 | 178.9 | -52.4 | 164.9 | 0 | 0 | 0 | 107.9 | V1785 C1792 W1795 F1796 I1799 P1810 L1811 Y1813 V1832 | V1785-I1834 WeakPolarHBondContact O-CA 3.29Å; C1792-I1834 HydrophobicContact CB-CG2 3.95Å; W1795-I1834 HydrophobicContact CB-CD1 3.97Å; W1795-I1834 HydrophobicContact CB-CG1 4.45Å; W1795-I1834 HydrophobicContact CB-CG2 4.11Å; F1796-I1834 HydrophobicContact CB-CD1 3.85Å; F1796-I1834 HydrophobicContact CD2-CD1 4.39Å; I1799-I1834 HydrophobicContact CD1-CD1 4.14Å; P1810-I1834 HydrophobicContact CB-CD1 4.24Å; L1811-I1834 PolarHBondContact O-N 3.44Å; Y1813-I1834 PolarHBondContact N-O 2.97Å; V1832-I1834 HydrophobicContact CG1-CG1 4.33Å |
| 1835 | T | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 175.4 | -178.9 | -167.8 | 0 | 0 | 0 | 0 | 111 | L1784 V1785 I1786 C1787 V1840 | L1784-T1835 HydrophobicContact CD1-CG2 3.66Å; L1784-T1835 HydrophobicContact CG-CG2 4.23Å; V1785-T1835 PolarHBondContact O-N 2.89Å; I1786-T1835 HydrophobicContact CB-CG2 4.44Å; I1786-T1835 HydrophobicContact CG1-CG2 3.86Å; C1787-T1835 PolarHBondContact N-O 3.48Å; C1787-T1835 VanDerWaalsContact N-O 3.09Å; C1787-T1835 PolarHBondContact SG-O 3.01Å; T1835-V1840 HydrophobicContact CG2-CG2 3.55Å |
| 1836 | S | 91.6 | Very high | 88 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152 | 174.4 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | C1787 D1838 L1839 V1840 | C1787-S1836 WeakPolarHBondContact O-CA 3.01Å; S1836-D1838 PolarHBondContact O-N 2.91Å; S1836-D1838 VanDerWaalsContact O-N 3.14Å; S1836-L1839 PolarHBondContact O-N 3.03Å; S1836-L1839 WeakPolarHBondContact OG-CD1 3.42Å; S1836-L1839 WeakPolarHBondContact OG-CG 3.33Å; S1836-V1840 PolarHBondContact O-N 3.44Å |
| 1837 | Y | 90.5 | Very high | 88.2 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -50.7 | -37.1 | 178.8 | -72.1 | -79.6 | 0 | 0 | 0 | 113.6 | I1786 C1787 R1841 L1857 D1858 I1862 I1863 V1870 V1874 | I1786-Y1837 HydrophobicContact CG2-CD1 3.54Å; I1786-Y1837 HydrophobicContact CG2-CD2 4.03Å; I1786-Y1837 HydrophobicContact CG2-CE1 3.65Å; I1786-Y1837 HydrophobicContact CG2-CE2 4.11Å; I1786-Y1837 HydrophobicContact CG2-CG 3.75Å; C1787-Y1837 WeakPolarHBondContact O-CD2 3.42Å; C1787-Y1837 PolarHBondContact O-N 2.95Å; Y1837-R1841 PolarHBondContact O-N 3.38Å; Y1837-R1841 VanDerWaalsContact O-N 3.17Å; Y1837-L1857 HydrophobicContact CE1-CD2 4.42Å; Y1837-D1858 VanDerWaalsContact CE2-O 3.3Å; Y1837-D1858 WeakPolarHBondContact CE2-O 3.42Å; Y1837-D1858 PolarHBondContact OH-O 3.1Å; Y1837-I1862 HydrophobicContact CD1-CG2 4.31Å; Y1837-I1862 HydrophobicContact CD2-CD1 3.82Å; Y1837-I1862 HydrophobicContact CE1-CG2 4.41Å; Y1837-I1862 HydrophobicContact CE2-CD1 3.56Å; Y1837-I1862 HydrophobicContact CG-CG2 4.42Å; Y1837-I1863 HydrophobicContact CE1-CG2 4.37Å; Y1837-V1870 HydrophobicContact CD1-CG1 3.67Å; Y1837-V1870 HydrophobicContact CG-CG1 4.29Å; Y1837-V1874 HydrophobicContact CD1-CG2 4.45Å |
| 1838 | D | 88.1 | Confident | 88.3 | Confident | 91 Ų | 91 | 43 Ų | 43 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.3 | -38 | 177.1 | -74.8 | -55 | 0 | 0 | 0 | 113.1 | S1836 R1841 S1842 | S1836-D1838 PolarHBondContact O-N 2.91Å; S1836-D1838 VanDerWaalsContact O-N 3.14Å; D1838-R1841 PolarHBondContact O-N 3.38Å; D1838-S1842 PolarHBondContact O-N 3.05Å |
| 1839 | L | 90.1 | Very high | 88.6 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.3 | -41.6 | 178.9 | -64.1 | 173.3 | 0 | 0 | 0 | 110.9 | Y1813 R1820 S1836 R1841 S1842 D1843 | Y1813-L1839 WeakPolarHBondContact O-CD1 3.32Å; R1820-L1839 VanDerWaalsContact NH1-CD2 3.32Å; S1836-L1839 PolarHBondContact O-N 3.03Å; S1836-L1839 WeakPolarHBondContact OG-CD1 3.42Å; S1836-L1839 WeakPolarHBondContact OG-CG 3.33Å; L1839-R1841 VanDerWaalsContact C-N 3.27Å; L1839-R1841 PolarHBondContact O-N 3.3Å; L1839-S1842 WeakPolarHBondContact CA-OG 3.48Å; L1839-S1842 PolarHBondContact O-N 3.09Å; L1839-S1842 PolarHBondContact O-OG 3.17Å; L1839-D1843 PolarHBondContact O-N 3.28Å |
| 1840 | V | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.9 | -42.7 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | I1786 T1835 S1836 S1842 V1844 L1847 A1873 V1874 L1877 | I1786-V1840 HydrophobicContact CD1-CG1 4.49Å; I1786-V1840 HydrophobicContact CD1-CG2 3.94Å; I1786-V1840 HydrophobicContact CG1-CG2 4.11Å; I1786-V1840 HydrophobicContact CG2-CG2 4.15Å; T1835-V1840 HydrophobicContact CG2-CG2 3.55Å; S1836-V1840 PolarHBondContact O-N 3.44Å; V1840-S1842 VanDerWaalsContact C-N 3.29Å; V1840-S1842 PolarHBondContact O-N 3.36Å; V1840-V1844 WeakPolarHBondContact O-CB 3.22Å; V1840-V1844 PolarHBondContact O-N 2.8Å; V1840-L1847 HydrophobicContact CB-CD1 4.22Å; V1840-L1847 HydrophobicContact CG1-CD1 4.23Å; V1840-L1847 HydrophobicContact CG2-CD1 4.02Å; V1840-A1873 HydrophobicContact CG1-CB 4.44Å; V1840-V1874 HydrophobicContact CG1-CG2 4.17Å; V1840-L1877 HydrophobicContact CG1-CD1 4.11Å |
| 1841 | R | 89.2 | Confident | 88.3 | Confident | 122 Ų | 122 | 42.7 Ų | 42.7 | 46% | 0.46 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.5 | -33 | 174.8 | -176.8 | -175.5 | 62.6 | 77.2 | -3.8 | 113.1 | Y1837 D1838 L1839 | Y1837-R1841 PolarHBondContact O-N 3.38Å; Y1837-R1841 VanDerWaalsContact O-N 3.17Å; D1838-R1841 PolarHBondContact O-N 3.38Å; L1839-R1841 VanDerWaalsContact C-N 3.27Å; L1839-R1841 PolarHBondContact O-N 3.3Å |
| 1842 | S | 87.5 | Confident | 88.3 | Confident | 61 Ų | 61 | 42 Ų | 42 | 43% | 0.427 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -84.9 | -32.5 | -178.8 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | R1820 D1838 L1839 V1840 | R1820-S1842 PolarHBondContact NH1-OG 3.39Å; D1838-S1842 PolarHBondContact O-N 3.05Å; L1839-S1842 WeakPolarHBondContact CA-OG 3.48Å; L1839-S1842 PolarHBondContact O-N 3.09Å; L1839-S1842 PolarHBondContact O-OG 3.17Å; V1840-S1842 VanDerWaalsContact C-N 3.29Å; V1840-S1842 PolarHBondContact O-N 3.36Å |
| 1843 | D | 89.7 | Confident | 88.1 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -114.8 | 20.1 | -170.4 | -53.2 | -30.2 | 0 | 0 | 0 | 112.6 | Y1813 R1820 L1839 G1845 F1846 L1847 | Y1813-D1843 WeakPolarHBondContact CE1-OD2 3.39Å; Y1813-D1843 PolarHBondContact OH-OD2 3.25Å; R1820-D1843 VanDerWaalsContact CZ-CG 3.49Å; R1820-D1843 IonicContact CZ-OD1 3.74Å; R1820-D1843 IonicContact CZ-OD2 3.73Å; R1820-D1843 IonicContact NE-OD2 3.92Å; R1820-D1843 IonicContact NH1-OD1 2.62Å; R1820-D1843 PolarHBondContact NH1-OD1 3.34Å; R1820-D1843 IonicContact NH1-OD2 3.95Å; R1820-D1843 PolarHBondContact NH1-OD2 2.66Å; R1820-D1843 IonicContact NH2-OD1 3.83Å; R1820-D1843 PolarHBondContact NH2-OD1 3.41Å; R1820-D1843 IonicContact NH2-OD2 3.15Å; L1839-D1843 PolarHBondContact O-N 3.28Å; D1843-G1845 VanDerWaalsContact C-N 3.3Å; D1843-G1845 PolarHBondContact O-N 2.87Å; D1843-F1846 WeakPolarHBondContact O-CB 3.42Å; D1843-F1846 PolarHBondContact O-N 2.88Å; D1843-L1847 PolarHBondContact O-N 3.3Å |
| 1844 | V | 86.2 | Confident | 88 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 25% | 0.248 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51 | -44 | -174.7 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | V1840 F1846 L1847 E1848 A1873 H1876 | V1840-V1844 WeakPolarHBondContact O-CB 3.22Å; V1840-V1844 PolarHBondContact O-N 2.8Å; V1844-F1846 PolarHBondContact O-N 3.49Å; V1844-F1846 VanDerWaalsContact O-N 3.14Å; V1844-L1847 PolarHBondContact O-N 3.05Å; V1844-E1848 WeakPolarHBondContact O-CB 3.06Å; V1844-E1848 PolarHBondContact O-N 3.1Å; V1844-A1873 HydrophobicContact CB-CB 4.26Å; V1844-A1873 HydrophobicContact CG2-CB 4.08Å; V1844-H1876 HydrophobicContact CG2-CB 4.32Å |
| 1845 | G | 84 | Confident | 88 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 54% | 0.536 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.3 | -13.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1843 | D1843-G1845 VanDerWaalsContact C-N 3.3Å; D1843-G1845 PolarHBondContact O-N 2.87Å |
| 1846 | F | 86.9 | Confident | 88.1 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 24% | 0.237 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -88.9 | -44.9 | 166.5 | 172.2 | -90.3 | 0 | 0 | 0 | 111.2 | Q1824 L1827 D1843 V1844 E1848 L1849 V1850 | Q1824-F1846 HydrophobicContact CB-CD2 4.42Å; Q1824-F1846 HydrophobicContact CB-CE1 4.43Å; Q1824-F1846 HydrophobicContact CB-CE2 3.89Å; Q1824-F1846 HydrophobicContact CB-CZ 3.93Å; Q1824-F1846 HydrophobicContact CG-CD1 3.93Å; Q1824-F1846 HydrophobicContact CG-CD2 3.97Å; Q1824-F1846 HydrophobicContact CG-CE1 3.83Å; Q1824-F1846 HydrophobicContact CG-CE2 3.85Å; Q1824-F1846 HydrophobicContact CG-CG 4.03Å; Q1824-F1846 HydrophobicContact CG-CZ 3.8Å; L1827-F1846 HydrophobicContact CD1-CE1 3.32Å; L1827-F1846 HydrophobicContact CD1-CZ 3.5Å; L1827-F1846 VanDerWaalsContact CD1-CZ 3.5Å; D1843-F1846 WeakPolarHBondContact O-CB 3.42Å; D1843-F1846 PolarHBondContact O-N 2.88Å; V1844-F1846 PolarHBondContact O-N 3.49Å; V1844-F1846 VanDerWaalsContact O-N 3.14Å; F1846-E1848 VanDerWaalsContact C-N 3.28Å; F1846-E1848 PolarHBondContact O-N 3.29Å; F1846-L1849 WeakPolarHBondContact O-CB 3.39Å; F1846-L1849 PolarHBondContact O-N 3.15Å; F1846-L1849 VanDerWaalsContact O-N 3.15Å; F1846-V1850 HydrophobicContact CE1-CG2 4.16Å; F1846-V1850 HydrophobicContact CZ-CG2 4.21Å |
| 1847 | L | 87 | Confident | 88.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.9 | -24.3 | -175.3 | -63.1 | 170.9 | 0 | 0 | 0 | 113.5 | V1840 D1843 V1844 L1849 V1850 W1852 L1877 | V1840-L1847 HydrophobicContact CB-CD1 4.22Å; V1840-L1847 HydrophobicContact CG1-CD1 4.23Å; V1840-L1847 HydrophobicContact CG2-CD1 4.02Å; D1843-L1847 PolarHBondContact O-N 3.3Å; V1844-L1847 PolarHBondContact O-N 3.05Å; L1847-L1849 VanDerWaalsContact C-N 3.3Å; L1847-V1850 PolarHBondContact O-N 3.43Å; L1847-W1852 HydrophobicContact CD2-CH2 4.42Å; L1847-W1852 HydrophobicContact CD2-CZ2 3.87Å; L1847-W1852 PolarHBondContact O-NE1 3.32Å; L1847-L1877 HydrophobicContact CB-CD2 3.63Å |
| 1848 | E | 84 | Confident | 88.3 | Confident | 89 Ų | 89 | 42.3 Ų | 42.3 | 42% | 0.416 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.8 | 173.2 | -174.9 | 170.6 | -161.8 | 0 | 0 | 112.9 | V1844 F1846 V1850 H1876 | V1844-E1848 WeakPolarHBondContact O-CB 3.06Å; V1844-E1848 PolarHBondContact O-N 3.1Å; F1846-E1848 VanDerWaalsContact C-N 3.28Å; F1846-E1848 PolarHBondContact O-N 3.29Å; E1848-V1850 VanDerWaalsContact C-N 3.29Å; E1848-V1850 PolarHBondContact O-N 3.05Å; E1848-H1876 IonicContact OE1-ND1 3.37Å |
| 1849 | L | 82.9 | Confident | 88.1 | Confident | 143 Ų | 143 | 38.8 Ų | 38.8 | 75% | 0.749 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7.9 | 177.7 | -60.4 | 173 | 0 | 0 | 0 | 113.5 | F1846 L1847 | F1846-L1849 WeakPolarHBondContact O-CB 3.39Å; F1846-L1849 PolarHBondContact O-N 3.15Å; F1846-L1849 VanDerWaalsContact O-N 3.15Å; L1847-L1849 VanDerWaalsContact C-N 3.3Å |
| 1850 | V | 83.1 | Confident | 87.7 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 11% | 0.109 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -103.7 | 123.8 | -178.1 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | F1846 L1847 E1848 W1852 | F1846-V1850 HydrophobicContact CE1-CG2 4.16Å; F1846-V1850 HydrophobicContact CZ-CG2 4.21Å; L1847-V1850 PolarHBondContact O-N 3.43Å; E1848-V1850 VanDerWaalsContact C-N 3.29Å; E1848-V1850 PolarHBondContact O-N 3.05Å; V1850-W1852 HydrophobicContact CB-CD2 4.49Å; V1850-W1852 HydrophobicContact CB-CH2 4.44Å; V1850-W1852 HydrophobicContact CB-CZ2 3.73Å; V1850-W1852 HydrophobicContact CG1-CD2 3.94Å; V1850-W1852 HydrophobicContact CG1-CE3 4.16Å; V1850-W1852 HydrophobicContact CG1-CH2 3.95Å; V1850-W1852 HydrophobicContact CG1-CZ2 3.67Å; V1850-W1852 HydrophobicContact CG1-CZ3 4.19Å; V1850-W1852 HydrophobicContact CG2-CZ2 4.29Å; V1850-W1852 PolarHBondContact O-NE1 3.34Å; V1850-W1852 VanDerWaalsContact O-NE1 3.14Å |
| 1851 | N | 81.9 | Confident | 87.2 | Confident | 132 Ų | 132 | 38.7 Ų | 38.7 | 71% | 0.706 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -80.6 | 116.3 | 170.7 | -70.8 | -25.8 | 0 | 0 | 0 | 109.4 | ||
| 1852 | W | 88.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 143.8 | -178.8 | -55.1 | 95.5 | 0 | 0 | 0 | 111.6 | I1782 L1784 I1833 L1847 V1850 I1855 V1878 A1879 Q1880 | I1782-W1852 HydrophobicContact CB-CE3 4.38Å; I1782-W1852 HydrophobicContact CB-CZ3 4.41Å; I1782-W1852 HydrophobicContact CG2-CE3 4.06Å; I1782-W1852 HydrophobicContact CG2-CZ3 3.67Å; I1782-W1852 CarbonylContact O-C 3.53Å; I1782-W1852 WeakPolarHBondContact O-CA 3.46Å; L1784-W1852 HydrophobicContact CB-CD2 3.81Å; L1784-W1852 HydrophobicContact CB-CE3 3.6Å; L1784-W1852 HydrophobicContact CB-CG 4.38Å; L1784-W1852 HydrophobicContact CB-CH2 4.33Å; L1784-W1852 HydrophobicContact CB-CZ3 3.86Å; L1784-W1852 HydrophobicContact CD1-CH2 3.81Å; L1784-W1852 HydrophobicContact CD1-CZ2 4.19Å; L1784-W1852 HydrophobicContact CD1-CZ3 4.02Å; L1784-W1852 HydrophobicContact CD2-CD2 4.36Å; L1784-W1852 HydrophobicContact CD2-CZ2 4.15Å; L1784-W1852 HydrophobicContact CG-CH2 4.46Å; L1784-W1852 HydrophobicContact CG-CZ3 4.44Å; I1833-W1852 HydrophobicContact CB-CH2 4.33Å; I1833-W1852 HydrophobicContact CB-CZ3 4.08Å; I1833-W1852 HydrophobicContact CG1-CH2 4.18Å; I1833-W1852 HydrophobicContact CG1-CZ3 3.82Å; L1847-W1852 HydrophobicContact CD2-CH2 4.42Å; L1847-W1852 HydrophobicContact CD2-CZ2 3.87Å; L1847-W1852 PolarHBondContact O-NE1 3.32Å; V1850-W1852 HydrophobicContact CB-CD2 4.49Å; V1850-W1852 HydrophobicContact CB-CH2 4.44Å; V1850-W1852 HydrophobicContact CB-CZ2 3.73Å; V1850-W1852 HydrophobicContact CG1-CD2 3.94Å; V1850-W1852 HydrophobicContact CG1-CE3 4.16Å; V1850-W1852 HydrophobicContact CG1-CH2 3.95Å; V1850-W1852 HydrophobicContact CG1-CZ2 3.67Å; V1850-W1852 HydrophobicContact CG1-CZ3 4.19Å; V1850-W1852 HydrophobicContact CG2-CZ2 4.29Å; V1850-W1852 PolarHBondContact O-NE1 3.34Å; V1850-W1852 VanDerWaalsContact O-NE1 3.14Å; W1852-I1855 HydrophobicContact CB-CD1 4.43Å; W1852-I1855 HydrophobicContact CB-CG1 3.99Å; W1852-I1855 HydrophobicContact CG-CD1 4.35Å; W1852-I1855 HydrophobicContact CG-CG1 4.17Å; W1852-V1878 VanDerWaalsContact CD1-O 3.31Å; W1852-V1878 PolarHBondContact N-O 3.27Å; W1852-V1878 VanDerWaalsContact N-O 3.17Å; W1852-A1879 HydrophobicContact CB-CB 4.03Å; W1852-A1879 CarbonylContact O-C 3.6Å; W1852-A1879 VanDerWaalsContact O-CA 3.24Å; W1852-A1879 WeakPolarHBondContact O-CA 2.89Å; W1852-Q1880 PolarHBondContact O-N 3.5Å |
| 1853 | N | 88.2 | Confident | 86.8 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -72.6 | 166.5 | 176.5 | 16.2 | 0 | 0 | 0 | 108.3 | S1747 P1781 I1782 Q1880 H1881 | S1747-N1853 PolarHBondContact OG-ND2 2.64Å; P1781-N1853 HydrophobicContact CB-CB 4.11Å; I1782-N1853 PolarHBondContact O-N 2.95Å; N1853-Q1880 WeakPolarHBondContact O-CB 3.39Å; N1853-Q1880 PolarHBondContact O-N 2.87Å; N1853-H1881 PolarHBondContact O-N 2.78Å |
| 1854 | Y | 91.7 | Very high | 86.4 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.3 | 171.7 | -86.2 | -104.4 | 0 | 0 | 0 | 112.4 | N1720 L1744 S1783 L1784 H1881 | N1720-Y1854 VanDerWaalsContact CB-OH 3.31Å; N1720-Y1854 WeakPolarHBondContact CB-OH 3.19Å; N1720-Y1854 PolarHBondContact OD1-OH 2.74Å; L1744-Y1854 HydrophobicContact CD2-CD1 4.2Å; L1744-Y1854 HydrophobicContact CD2-CD2 4.11Å; L1744-Y1854 HydrophobicContact CD2-CG 3.68Å; S1783-Y1854 WeakPolarHBondContact CA-O 3.13Å; S1783-Y1854 PolarHBondContact OG-N 2.91Å; L1784-Y1854 PolarHBondContact N-O 2.84Å; Y1854-H1881 WeakPolarHBondContact CA-O 3.24Å; Y1854-H1881 HydrophobicContact CD1-CB 3.82Å; Y1854-H1881 HydrophobicContact CD2-CB 3.96Å; Y1854-H1881 HydrophobicContact CE1-CB 3.57Å; Y1854-H1881 HydrophobicContact CE2-CB 3.69Å; Y1854-H1881 AromaticContact CE2-CD2 3.68Å; Y1854-H1881 AromaticContact CE2-CG 3.77Å; Y1854-H1881 HydrophobicContact CG-CB 3.99Å; Y1854-H1881 VanDerWaalsContact CZ-CB 3.47Å; Y1854-H1881 AromaticContact CZ-CG 3.69Å |
| 1855 | I | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.1 | 153.2 | -66.3 | 173.2 | 0 | 0 | 0 | 108.6 | L1784 I1786 W1852 L1857 L1877 A1879 H1881 L1883 F1903 | L1784-I1855 HydrophobicContact CB-CG1 4.21Å; L1784-I1855 HydrophobicContact CD2-CG1 4.45Å; L1784-I1855 WeakPolarHBondContact O-CA 3.41Å; I1786-I1855 HydrophobicContact CD1-CG2 4.11Å; W1852-I1855 HydrophobicContact CB-CD1 4.43Å; W1852-I1855 HydrophobicContact CB-CG1 3.99Å; W1852-I1855 HydrophobicContact CG-CD1 4.35Å; W1852-I1855 HydrophobicContact CG-CG1 4.17Å; I1855-L1857 HydrophobicContact CG2-CD2 3.94Å; I1855-L1877 HydrophobicContact CD1-CB 3.45Å; I1855-L1877 VanDerWaalsContact CD1-CB 3.45Å; I1855-L1877 HydrophobicContact CD1-CD1 4.1Å; I1855-L1877 HydrophobicContact CD1-CG 4.43Å; I1855-A1879 HydrophobicContact CB-CB 4.23Å; I1855-A1879 HydrophobicContact CD1-CB 3.59Å; I1855-A1879 HydrophobicContact CG1-CB 3.63Å; I1855-H1881 PolarHBondContact N-O 2.74Å; I1855-L1883 PolarHBondContact O-N 3.24Å; I1855-F1903 HydrophobicContact CB-CZ 4.46Å; I1855-F1903 HydrophobicContact CG2-CZ 3.89Å |
| 1856 | V | 94.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.9 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 109 | T1740 L1784 V1785 I1786 W1795 L1883 L1885 | T1740-V1856 HydrophobicContact CG2-CG1 3.98Å; T1740-V1856 HydrophobicContact CG2-CG2 3.85Å; L1784-V1856 PolarHBondContact O-N 2.65Å; V1785-V1856 HydrophobicContact CG2-CB 4.32Å; I1786-V1856 PolarHBondContact N-O 3.26Å; W1795-V1856 HydrophobicContact CH2-CG1 4.33Å; V1856-L1883 CarbonylContact C-O 3.59Å; V1856-L1883 WeakPolarHBondContact CA-O 3.3Å; V1856-L1883 HydrophobicContact CG2-CB 4.47Å; V1856-L1883 HydrophobicContact CG2-CD2 4.47Å; V1856-L1885 HydrophobicContact CG1-CD1 3.7Å; V1856-L1885 HydrophobicContact CG1-CG 3.95Å |
| 1857 | L | 94.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104.5 | 171.8 | -58.2 | -170.2 | 0 | 0 | 0 | 110 | I1786 Y1837 I1855 I1863 V1874 L1883 I1884 L1885 F1903 | I1786-L1857 HydrophobicContact CB-CD2 3.86Å; I1786-L1857 HydrophobicContact CD1-CD2 3.69Å; I1786-L1857 HydrophobicContact CG1-CD2 4.17Å; I1786-L1857 HydrophobicContact CG2-CD2 4.45Å; Y1837-L1857 HydrophobicContact CE1-CD2 4.42Å; I1855-L1857 HydrophobicContact CG2-CD2 3.94Å; L1857-I1863 HydrophobicContact CD1-CD1 3.64Å; L1857-I1863 HydrophobicContact CD1-CG1 4.23Å; L1857-V1874 HydrophobicContact CD1-CG1 3.84Å; L1857-V1874 HydrophobicContact CD2-CG1 3.93Å; L1857-L1883 PolarHBondContact N-O 2.91Å; L1857-I1884 HydrophobicContact CB-CG1 4.38Å; L1857-I1884 HydrophobicContact CD1-CG1 4.27Å; L1857-L1885 PolarHBondContact O-N 2.95Å; L1857-F1903 HydrophobicContact CD1-CD1 3.79Å; L1857-F1903 HydrophobicContact CD1-CD2 4.45Å; L1857-F1903 HydrophobicContact CD1-CE1 3.5Å; L1857-F1903 VanDerWaalsContact CD1-CE1 3.5Å; L1857-F1903 HydrophobicContact CD1-CE2 4.22Å; L1857-F1903 HydrophobicContact CD1-CG 4.25Å; L1857-F1903 HydrophobicContact CD1-CZ 3.73Å; L1857-F1903 HydrophobicContact CD2-CZ 4.3Å; L1857-F1903 HydrophobicContact CG-CE1 3.83Å; L1857-F1903 HydrophobicContact CG-CZ 3.9Å |
| 1858 | D | 91.3 | Very high | 85.8 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 138.4 | 172.3 | -167.3 | 19.3 | 0 | 0 | 0 | 110.7 | I1786 C1787 L1791 W1795 Y1837 G1860 | I1786-D1858 PolarHBondContact O-N 3.33Å; C1787-D1858 HydrophobicContact CB-CB 3.78Å; L1791-D1858 WeakPolarHBondContact CD1-OD2 3.47Å; W1795-D1858 HydrophobicContact CZ2-CB 4.19Å; W1795-D1858 PolarHBondContact NE1-OD2 2.86Å; Y1837-D1858 VanDerWaalsContact CE2-O 3.3Å; Y1837-D1858 WeakPolarHBondContact CE2-O 3.42Å; Y1837-D1858 PolarHBondContact OH-O 3.1Å; D1858-G1860 VanDerWaalsContact C-N 3.31Å; D1858-G1860 PolarHBondContact O-N 3.42Å |
| 1859 | E | 84.6 | Confident | 86 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 47.6 | -166.9 | -63 | -64.4 | 175.5 | 0 | 0 | 113.4 | P1788 H1861 I1862 L1885 Q2221 | P1788-E1859 HydrophobicContact CG-CB 4.27Å; P1788-E1859 HydrophobicContact CG-CG 4.36Å; E1859-H1861 PolarHBondContact O-N 2.98Å; E1859-H1861 IonicContact OE2-CE1 2.85Å; E1859-H1861 PolarHBondContact OE2-CE1 2.92Å; E1859-H1861 IonicContact OE2-ND1 2.69Å; E1859-H1861 PolarHBondContact OE2-ND1 2.98Å; E1859-I1862 HydrophobicContact CB-CD1 4.29Å; E1859-I1862 WeakPolarHBondContact O-CG1 3.49Å; E1859-I1862 PolarHBondContact O-N 3.41Å; E1859-I1862 VanDerWaalsContact O-N 3.12Å; E1859-L1885 WeakPolarHBondContact CA-O 3.49Å; E1859-L1885 PolarHBondContact N-O 3.21Å; E1859-L1885 VanDerWaalsContact N-O 3.15Å; E1859-Q2221 PolarHBondContact OE1-NE2 3.28Å; E1859-Q2221 PolarHBondContact OE2-NE2 3.02Å |
| 1860 | G | 81.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -62.7 | -5.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D1858 I1862 I1863 L1885 | D1858-G1860 VanDerWaalsContact C-N 3.31Å; D1858-G1860 PolarHBondContact O-N 3.42Å; G1860-I1862 PolarHBondContact O-N 3.18Å; G1860-I1863 WeakPolarHBondContact O-CG1 3.42Å; G1860-I1863 PolarHBondContact O-N 2.86Å; G1860-L1885 PolarHBondContact N-O 2.97Å |
| 1861 | H | 79.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -60.3 | -12.8 | 167.7 | 70.3 | -103.6 | 0 | 0 | 0 | 113 | E1859 I1863 K1864 Q1891 | E1859-H1861 PolarHBondContact O-N 2.98Å; E1859-H1861 IonicContact OE2-CE1 2.85Å; E1859-H1861 PolarHBondContact OE2-CE1 2.92Å; E1859-H1861 IonicContact OE2-ND1 2.69Å; E1859-H1861 PolarHBondContact OE2-ND1 2.98Å; H1861-I1863 VanDerWaalsContact C-N 3.28Å; H1861-I1863 PolarHBondContact O-N 2.92Å; H1861-K1864 VanDerWaalsContact O-CB 3.28Å; H1861-K1864 WeakPolarHBondContact O-CB 3.47Å; H1861-K1864 WeakPolarHBondContact O-CD 3.47Å; H1861-K1864 VanDerWaalsContact O-CG 3.25Å; H1861-K1864 WeakPolarHBondContact O-CG 3.26Å; H1861-K1864 PolarHBondContact O-N 3.46Å; H1861-Q1891 PolarHBondContact CD2-NE2 3.2Å |
| 1862 | I | 84.1 | Confident | 86.9 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 35% | 0.349 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -59.8 | -34 | 169.7 | -68.2 | 165.1 | 0 | 0 | 0 | 112.1 | P1788 Y1837 E1859 G1860 K1864 | P1788-I1862 HydrophobicContact CG-CD1 4.39Å; Y1837-I1862 HydrophobicContact CD1-CG2 4.31Å; Y1837-I1862 HydrophobicContact CD2-CD1 3.82Å; Y1837-I1862 HydrophobicContact CE1-CG2 4.41Å; Y1837-I1862 HydrophobicContact CE2-CD1 3.56Å; Y1837-I1862 HydrophobicContact CG-CG2 4.42Å; E1859-I1862 HydrophobicContact CB-CD1 4.29Å; E1859-I1862 WeakPolarHBondContact O-CG1 3.49Å; E1859-I1862 PolarHBondContact O-N 3.41Å; E1859-I1862 VanDerWaalsContact O-N 3.12Å; G1860-I1862 PolarHBondContact O-N 3.18Å; I1862-K1864 VanDerWaalsContact C-N 3.28Å; I1862-K1864 PolarHBondContact O-N 3.23Å |
| 1863 | I | 84.9 | Confident | 87 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -86.8 | 14.8 | -179.2 | 60.9 | 151.9 | 0 | 0 | 0 | 114.4 | Y1837 L1857 G1860 H1861 S1865 T1871 I1884 S1899 L1900 F1903 | Y1837-I1863 HydrophobicContact CE1-CG2 4.37Å; L1857-I1863 HydrophobicContact CD1-CD1 3.64Å; L1857-I1863 HydrophobicContact CD1-CG1 4.23Å; G1860-I1863 WeakPolarHBondContact O-CG1 3.42Å; G1860-I1863 PolarHBondContact O-N 2.86Å; H1861-I1863 VanDerWaalsContact C-N 3.28Å; H1861-I1863 PolarHBondContact O-N 2.92Å; I1863-S1865 PolarHBondContact O-N 3.22Å; I1863-T1871 HydrophobicContact CB-CG2 4.22Å; I1863-T1871 PolarHBondContact O-OG1 2.83Å; I1863-I1884 HydrophobicContact CD1-CD1 4.37Å; I1863-S1899 PolarHBondContact O-OG 3.37Å; I1863-L1900 HydrophobicContact CD1-CD2 4.06Å; I1863-L1900 HydrophobicContact CG1-CD2 3.87Å; I1863-F1903 HydrophobicContact CD1-CB 3.94Å; I1863-F1903 HydrophobicContact CD1-CD1 4.39Å; I1863-F1903 HydrophobicContact CD1-CG 4.15Å |
| 1864 | K | 82 | Confident | 87.2 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | trans | -56.8 | -20.1 | -177.4 | 65.2 | -179.3 | -177.9 | 169.4 | 0 | 116.6 | H1861 I1862 N1892 E1896 S1899 | H1861-K1864 VanDerWaalsContact O-CB 3.28Å; H1861-K1864 WeakPolarHBondContact O-CB 3.47Å; H1861-K1864 WeakPolarHBondContact O-CD 3.47Å; H1861-K1864 VanDerWaalsContact O-CG 3.25Å; H1861-K1864 WeakPolarHBondContact O-CG 3.26Å; H1861-K1864 PolarHBondContact O-N 3.46Å; I1862-K1864 VanDerWaalsContact C-N 3.28Å; I1862-K1864 PolarHBondContact O-N 3.23Å; K1864-N1892 PolarHBondContact NZ-ND2 2.9Å; K1864-E1896 HydrophobicContact CB-CB 4.07Å; K1864-E1896 HydrophobicContact CB-CG 4.01Å; K1864-S1899 WeakPolarHBondContact O-CB 3.29Å | ||
| 1865 | S | 81.9 | Confident | 87 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | trans | -110 | 117.8 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | I1863 K1867 S1868 T1871 | I1863-S1865 PolarHBondContact O-N 3.22Å; S1865-K1867 PolarHBondContact O-N 3.39Å; S1865-S1868 WeakPolarHBondContact O-CB 3.19Å; S1865-S1868 PolarHBondContact O-N 3.09Å; S1865-T1871 VanDerWaalsContact O-CB 3.29Å; S1865-T1871 WeakPolarHBondContact O-CB 3.48Å; S1865-T1871 PolarHBondContact O-OG1 3.15Å | ||
| 1866 | S | 80.9 | Confident | 86.5 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -33.3 | 178.2 | 62.6 | 0 | 0 | 0 | 0 | 113 | S1868 S1899 E1912 | S1866-S1868 VanDerWaalsContact C-N 3.3Å; S1866-S1868 PolarHBondContact O-N 3.33Å; S1866-S1899 PolarHBondContact N-OG 3.16Å; S1866-E1912 WeakPolarHBondContact CB-OE2 3.31Å; S1866-E1912 PolarHBondContact OG-OE2 3.44Å |
| 1867 | K | 83.1 | Confident | 86.1 | Confident | 147 Ų | 147 | 45.6 Ų | 45.6 | 64% | 0.639 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.4 | -176.3 | -58.4 | -178.7 | -175.4 | 177.9 | 0 | 113.4 | S1865 | S1865-K1867 PolarHBondContact O-N 3.39Š|
| 1868 | S | 84.8 | Confident | 85.5 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -70.9 | 143.8 | -176.2 | 107.7 | 0 | 0 | 0 | 0 | 112.6 | S1865 S1866 V1870 T1871 R1872 | S1865-S1868 WeakPolarHBondContact O-CB 3.19Å; S1865-S1868 PolarHBondContact O-N 3.09Å; S1866-S1868 VanDerWaalsContact C-N 3.3Å; S1866-S1868 PolarHBondContact O-N 3.33Å; S1868-V1870 VanDerWaalsContact C-N 3.26Å; S1868-V1870 PolarHBondContact O-N 3.31Å; S1868-V1870 PolarHBondContact OG-N 2.84Å; S1868-T1871 PolarHBondContact O-N 3.13Å; S1868-T1871 WeakPolarHBondContact OG-CB 3.47Å; S1868-T1871 PolarHBondContact OG-N 2.63Å; S1868-T1871 PolarHBondContact OG-OG1 2.98Å; S1868-R1872 WeakPolarHBondContact O-CG 3.2Å; S1868-R1872 PolarHBondContact O-N 3.1Å |
| 1869 | K | 87.6 | Confident | 85.2 | Confident | 162 Ų | 162 | 49.2 Ų | 49.2 | 70% | 0.704 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.8 | -33.7 | 177.2 | -70.1 | -173.2 | 177.9 | -176.8 | 0 | 112.5 | A1873 | K1869-A1873 WeakPolarHBondContact O-CB 3.39Å; K1869-A1873 PolarHBondContact O-N 3.34Å; K1869-A1873 VanDerWaalsContact O-N 3.12Å |
| 1870 | V | 90 | Very high | 85 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.5 | -47.8 | 176.6 | 178 | 0 | 0 | 0 | 0 | 110.2 | Y1837 S1868 R1872 A1873 V1874 | Y1837-V1870 HydrophobicContact CD1-CG1 3.67Å; Y1837-V1870 HydrophobicContact CG-CG1 4.29Å; S1868-V1870 VanDerWaalsContact C-N 3.26Å; S1868-V1870 PolarHBondContact O-N 3.31Å; S1868-V1870 PolarHBondContact OG-N 2.84Å; V1870-R1872 VanDerWaalsContact C-N 3.32Å; V1870-R1872 PolarHBondContact O-N 3.15Å; V1870-A1873 PolarHBondContact O-N 3.43Å; V1870-V1874 HydrophobicContact CG1-CG2 4.31Å; V1870-V1874 WeakPolarHBondContact O-CB 3.38Å; V1870-V1874 WeakPolarHBondContact O-CG2 3.31Å; V1870-V1874 PolarHBondContact O-N 3.07Å |
| 1871 | T | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 177.9 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | I1863 S1865 S1868 V1874 K1875 | I1863-T1871 HydrophobicContact CB-CG2 4.22Å; I1863-T1871 PolarHBondContact O-OG1 2.83Å; S1865-T1871 VanDerWaalsContact O-CB 3.29Å; S1865-T1871 WeakPolarHBondContact O-CB 3.48Å; S1865-T1871 PolarHBondContact O-OG1 3.15Å; S1868-T1871 PolarHBondContact O-N 3.13Å; S1868-T1871 WeakPolarHBondContact OG-CB 3.47Å; S1868-T1871 PolarHBondContact OG-N 2.63Å; S1868-T1871 PolarHBondContact OG-OG1 2.98Å; T1871-V1874 PolarHBondContact O-N 3.38Å; T1871-K1875 HydrophobicContact CG2-CD 4.06Å; T1871-K1875 WeakPolarHBondContact O-CB 3.49Å; T1871-K1875 VanDerWaalsContact O-CG 3.31Å; T1871-K1875 WeakPolarHBondContact O-CG 3.44Å; T1871-K1875 PolarHBondContact O-N 3.42Å |
| 1872 | R | 88.4 | Confident | 85.7 | Confident | 147 Ų | 147 | 54.3 Ų | 54.3 | 56% | 0.555 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.9 | -52.2 | 175.2 | -68 | 179.7 | -172.2 | 178.3 | 1.4 | 111.3 | S1868 V1870 V1874 K1875 H1876 | S1868-R1872 WeakPolarHBondContact O-CG 3.2Å; S1868-R1872 PolarHBondContact O-N 3.1Å; V1870-R1872 VanDerWaalsContact C-N 3.32Å; V1870-R1872 PolarHBondContact O-N 3.15Å; R1872-V1874 VanDerWaalsContact C-N 3.29Å; R1872-V1874 PolarHBondContact O-N 3.13Å; R1872-K1875 PolarHBondContact O-N 3.12Å; R1872-K1875 VanDerWaalsContact O-N 3.11Å; R1872-H1876 PolarHBondContact O-CD2 2.74Å; R1872-H1876 PolarHBondContact O-N 3.18Å |
| 1873 | A | 90.3 | Very high | 86.1 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -40.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1840 V1844 K1869 V1870 H1876 | V1840-A1873 HydrophobicContact CG1-CB 4.44Å; V1844-A1873 HydrophobicContact CB-CB 4.26Å; V1844-A1873 HydrophobicContact CG2-CB 4.08Å; K1869-A1873 WeakPolarHBondContact O-CB 3.39Å; K1869-A1873 PolarHBondContact O-N 3.34Å; K1869-A1873 VanDerWaalsContact O-N 3.12Å; V1870-A1873 PolarHBondContact O-N 3.43Å; A1873-H1876 PolarHBondContact O-N 3.04Å |
| 1874 | V | 90.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -37 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | I1786 Y1837 V1840 L1857 V1870 T1871 R1872 H1876 L1877 F1903 | I1786-V1874 HydrophobicContact CD1-CG2 4.39Å; Y1837-V1874 HydrophobicContact CD1-CG2 4.45Å; V1840-V1874 HydrophobicContact CG1-CG2 4.17Å; L1857-V1874 HydrophobicContact CD1-CG1 3.84Å; L1857-V1874 HydrophobicContact CD2-CG1 3.93Å; V1870-V1874 HydrophobicContact CG1-CG2 4.31Å; V1870-V1874 WeakPolarHBondContact O-CB 3.38Å; V1870-V1874 WeakPolarHBondContact O-CG2 3.31Å; V1870-V1874 PolarHBondContact O-N 3.07Å; T1871-V1874 PolarHBondContact O-N 3.38Å; R1872-V1874 VanDerWaalsContact C-N 3.29Å; R1872-V1874 PolarHBondContact O-N 3.13Å; V1874-H1876 VanDerWaalsContact C-N 3.32Å; V1874-H1876 PolarHBondContact O-N 3.37Å; V1874-L1877 PolarHBondContact O-N 2.74Å; V1874-F1903 HydrophobicContact CG1-CD2 3.71Å; V1874-F1903 HydrophobicContact CG1-CE2 3.49Å; V1874-F1903 VanDerWaalsContact CG1-CE2 3.49Å; V1874-F1903 HydrophobicContact CG1-CZ 4.22Å |
| 1875 | K | 87.4 | Confident | 87 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.1 | -22.8 | 177.8 | -76.2 | 179.4 | 178.7 | -174.8 | 0 | 114.2 | T1871 R1872 L1877 S1899 D1902 F1903 | T1871-K1875 HydrophobicContact CG2-CD 4.06Å; T1871-K1875 WeakPolarHBondContact O-CB 3.49Å; T1871-K1875 VanDerWaalsContact O-CG 3.31Å; T1871-K1875 WeakPolarHBondContact O-CG 3.44Å; T1871-K1875 PolarHBondContact O-N 3.42Å; R1872-K1875 PolarHBondContact O-N 3.12Å; R1872-K1875 VanDerWaalsContact O-N 3.11Å; K1875-L1877 VanDerWaalsContact C-N 3.28Å; K1875-L1877 PolarHBondContact O-N 3.43Å; K1875-S1899 PolarHBondContact NZ-O 2.96Å; K1875-D1902 VanDerWaalsContact CE-OD2 3.3Å; K1875-D1902 WeakPolarHBondContact CE-OD2 3.33Å; K1875-D1902 IonicContact NZ-OD2 3.9Å; K1875-D1902 PolarHBondContact NZ-OD2 2.74Å; K1875-F1903 HydrophobicContact CG-CB 4.43Å; K1875-F1903 HydrophobicContact CG-CD2 4.46Å |
| 1876 | H | 85 | Confident | 87.1 | Confident | 104 Ų | 104 | 45.1 Ų | 45.1 | 48% | 0.481 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.7 | 173.5 | -78.4 | -76.1 | 0 | 0 | 0 | 113.7 | V1844 E1848 R1872 A1873 V1874 | V1844-H1876 HydrophobicContact CG2-CB 4.32Å; E1848-H1876 IonicContact OE1-ND1 3.37Å; R1872-H1876 PolarHBondContact O-CD2 2.74Å; R1872-H1876 PolarHBondContact O-N 3.18Å; A1873-H1876 PolarHBondContact O-N 3.04Å; V1874-H1876 VanDerWaalsContact C-N 3.32Å; V1874-H1876 PolarHBondContact O-N 3.37Å |
| 1877 | L | 86.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -75.3 | 132.5 | -176.7 | -55.9 | 177.7 | 0 | 0 | 0 | 112.3 | L1784 I1786 V1840 L1847 I1855 V1874 K1875 R1882 | L1784-L1877 HydrophobicContact CD2-CD1 3.96Å; I1786-L1877 HydrophobicContact CD1-CD1 3.83Å; V1840-L1877 HydrophobicContact CG1-CD1 4.11Å; L1847-L1877 HydrophobicContact CB-CD2 3.63Å; I1855-L1877 HydrophobicContact CD1-CB 3.45Å; I1855-L1877 VanDerWaalsContact CD1-CB 3.45Å; I1855-L1877 HydrophobicContact CD1-CD1 4.1Å; I1855-L1877 HydrophobicContact CD1-CG 4.43Å; V1874-L1877 PolarHBondContact O-N 2.74Å; K1875-L1877 VanDerWaalsContact C-N 3.28Å; K1875-L1877 PolarHBondContact O-N 3.43Å; L1877-R1882 PolarHBondContact O-NH2 2.78Å | ||
| 1878 | V | 82.1 | Confident | 86.1 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 41% | 0.406 | 19% | 0.189 | S | C | . | . | trans | -96.7 | 123.9 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | W1852 | W1852-V1878 VanDerWaalsContact CD1-O 3.31Å; W1852-V1878 PolarHBondContact N-O 3.27Å; W1852-V1878 VanDerWaalsContact N-O 3.17Å | ||
| 1879 | A | 84.1 | Confident | 85.2 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 17% | 0.174 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1852 I1855 R1882 | W1852-A1879 HydrophobicContact CB-CB 4.03Å; W1852-A1879 CarbonylContact O-C 3.6Å; W1852-A1879 VanDerWaalsContact O-CA 3.24Å; W1852-A1879 WeakPolarHBondContact O-CA 2.89Å; I1855-A1879 HydrophobicContact CB-CB 4.23Å; I1855-A1879 HydrophobicContact CD1-CB 3.59Å; I1855-A1879 HydrophobicContact CG1-CB 3.63Å; A1879-R1882 HydrophobicContact CB-CG 4.37Å |
| 1880 | Q | 79.5 | Confident | 84.4 | Confident | 95 Ų | 95 | 29.6 Ų | 29.6 | 44% | 0.444 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -44.9 | 173.4 | -63.1 | -179.9 | -47.8 | 0 | 0 | 111.2 | W1852 N1853 | W1852-Q1880 PolarHBondContact O-N 3.5Å; N1853-Q1880 WeakPolarHBondContact O-CB 3.39Å; N1853-Q1880 PolarHBondContact O-N 2.87Å |
| 1881 | H | 86.5 | Confident | 82.9 | Confident | 24 Ų | 24 | 29 Ų | 29 | 11% | 0.111 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.7 | 179.5 | -60.1 | -80 | 0 | 0 | 0 | 111.6 | N1720 N1725 N1853 Y1854 I1855 | N1720-H1881 PolarHBondContact O-CE1 3.35Å; N1720-H1881 PolarHBondContact OD1-CE1 3.12Å; N1720-H1881 PolarHBondContact OD1-NE2 2.79Å; N1725-H1881 WeakPolarHBondContact OD1-CA 3.07Å; N1853-H1881 PolarHBondContact O-N 2.78Å; Y1854-H1881 WeakPolarHBondContact CA-O 3.24Å; Y1854-H1881 HydrophobicContact CD1-CB 3.82Å; Y1854-H1881 HydrophobicContact CD2-CB 3.96Å; Y1854-H1881 HydrophobicContact CE1-CB 3.57Å; Y1854-H1881 HydrophobicContact CE2-CB 3.69Å; Y1854-H1881 AromaticContact CE2-CD2 3.68Å; Y1854-H1881 AromaticContact CE2-CG 3.77Å; Y1854-H1881 HydrophobicContact CG-CB 3.99Å; Y1854-H1881 VanDerWaalsContact CZ-CB 3.47Å; Y1854-H1881 AromaticContact CZ-CG 3.69Å; I1855-H1881 PolarHBondContact N-O 2.74Å |
| 1882 | R | 90.2 | Very high | 81.5 | Confident | 35 Ų | 35 | 31.7 Ų | 31.7 | 13% | 0.132 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.9 | -177.2 | -61 | -177.7 | 175.2 | -175.2 | -8.8 | 109.6 | N1725 G1726 L1877 A1879 F1903 L1904 | N1725-R1882 WeakPolarHBondContact CA-O 3.5Å; N1725-R1882 HydrophobicContact CB-CB 4.18Å; N1725-R1882 WeakPolarHBondContact CB-O 3.39Å; N1725-R1882 PolarHBondContact OD1-N 2.98Å; G1726-R1882 PolarHBondContact N-O 3.21Å; L1877-R1882 PolarHBondContact O-NH2 2.78Å; A1879-R1882 HydrophobicContact CB-CG 4.37Å; R1882-F1903 HydrophobicContact CB-CE1 3.91Å; R1882-F1903 HydrophobicContact CB-CZ 4.21Å; R1882-F1903 WeakPolarHBondContact CD-O 3.39Å; R1882-F1903 HydrophobicContact CG-CE1 4.37Å; R1882-F1903 HydrophobicContact CG-CZ 4.21Å; R1882-F1903 PolarHBondContact NH1-O 3.2Å; R1882-L1904 HydrophobicContact CB-CD2 4.41Å |
| 1883 | L | 93.1 | Very high | 80.5 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130.7 | -178.7 | -179.5 | 61.7 | 0 | 0 | 0 | 110.2 | L1716 T1740 I1855 V1856 L1857 L1885 | L1716-L1883 HydrophobicContact CD2-CD1 3.56Å; L1716-L1883 HydrophobicContact CD2-CD2 3.94Å; L1716-L1883 HydrophobicContact CD2-CG 4.43Å; T1740-L1883 HydrophobicContact CG2-CD2 3.95Å; I1855-L1883 PolarHBondContact O-N 3.24Å; V1856-L1883 CarbonylContact C-O 3.59Å; V1856-L1883 WeakPolarHBondContact CA-O 3.3Å; V1856-L1883 HydrophobicContact CG2-CB 4.47Å; V1856-L1883 HydrophobicContact CG2-CD2 4.47Å; L1857-L1883 PolarHBondContact N-O 2.91Å; L1883-L1885 HydrophobicContact CD1-CD2 4.37Å; L1883-L1885 HydrophobicContact CD2-CD2 3.91Å; L1883-L1885 HydrophobicContact CG-CD2 3.89Å |
| 1884 | I | 93.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.9 | 171.5 | -62.3 | 176.3 | 0 | 0 | 0 | 109.3 | G1726 V1727 L1728 L1857 I1863 L1900 F1903 L1904 | G1726-I1884 PolarHBondContact O-N 2.93Å; V1727-I1884 CarbonylContact C-O 3.57Å; V1727-I1884 WeakPolarHBondContact CA-O 3.35Å; V1727-I1884 HydrophobicContact CB-CB 4.43Å; V1727-I1884 HydrophobicContact CG1-CB 3.98Å; V1727-I1884 HydrophobicContact CG1-CG2 3.88Å; V1727-I1884 HydrophobicContact CG2-CB 4.26Å; V1727-I1884 HydrophobicContact CG2-CD1 4.49Å; L1728-I1884 PolarHBondContact N-O 3.41Å; L1857-I1884 HydrophobicContact CB-CG1 4.38Å; L1857-I1884 HydrophobicContact CD1-CG1 4.27Å; I1863-I1884 HydrophobicContact CD1-CD1 4.37Å; I1884-L1900 HydrophobicContact CD1-CB 4.15Å; I1884-L1900 HydrophobicContact CD1-CD2 3.9Å; I1884-F1903 HydrophobicContact CD1-CD1 3.97Å; I1884-F1903 HydrophobicContact CG1-CD1 4.08Å; I1884-F1903 HydrophobicContact CG1-CE1 4.2Å; I1884-L1904 HydrophobicContact CD1-CD1 4.26Å; I1884-L1904 HydrophobicContact CD1-CD2 3.9Å; I1884-L1904 HydrophobicContact CD1-CG 3.94Å; I1884-L1904 HydrophobicContact CG1-CD2 3.89Å; I1884-L1904 HydrophobicContact CG1-CG 4.49Å |
| 1885 | L | 92.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.5 | 171.6 | -47.1 | 179.2 | 0 | 0 | 0 | 108.7 | L1728 K1736 W1795 V1856 L1857 E1859 G1860 L1883 | L1728-L1885 HydrophobicContact CB-CD2 3.82Å; L1728-L1885 HydrophobicContact CD2-CD2 4.06Å; K1736-L1885 HydrophobicContact CD-CB 4.44Å; W1795-L1885 HydrophobicContact CH2-CD1 3.88Å; W1795-L1885 HydrophobicContact CZ2-CD1 3.77Å; V1856-L1885 HydrophobicContact CG1-CD1 3.7Å; V1856-L1885 HydrophobicContact CG1-CG 3.95Å; L1857-L1885 PolarHBondContact O-N 2.95Å; E1859-L1885 WeakPolarHBondContact CA-O 3.49Å; E1859-L1885 PolarHBondContact N-O 3.21Å; E1859-L1885 VanDerWaalsContact N-O 3.15Å; G1860-L1885 PolarHBondContact N-O 2.97Å; L1883-L1885 HydrophobicContact CD1-CD2 4.37Å; L1883-L1885 HydrophobicContact CD2-CD2 3.91Å; L1883-L1885 HydrophobicContact CG-CD2 3.89Å |
| 1886 | T | 84.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -156.7 | 145.8 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | V1727 L1728 C1729 T1888 P1889 | V1727-T1886 HydrophobicContact CG1-CG2 3.82Å; L1728-T1886 PolarHBondContact O-N 3.11Å; C1729-T1886 WeakPolarHBondContact CA-O 3.41Å; T1886-T1888 VanDerWaalsContact OG1-C 3.3Å; T1886-T1888 PolarHBondContact OG1-N 2.99Å; T1886-T1888 VanDerWaalsContact OG1-N 3.08Å; T1886-T1888 PolarHBondContact OG1-O 3.23Å; T1886-P1889 HydrophobicContact CG2-CB 3.84Å | ||
| 1887 | G | 72.9 | Confident | 78.7 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 11% | 0.113 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -82.6 | -17.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1888 | T | 70.1 | Confident | 78.8 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | trans | -138.8 | 93.6 | -175.4 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | T1886 | T1886-T1888 VanDerWaalsContact OG1-C 3.3Å; T1886-T1888 PolarHBondContact OG1-N 2.99Å; T1886-T1888 VanDerWaalsContact OG1-N 3.08Å; T1886-T1888 PolarHBondContact OG1-O 3.23Å | ||
| 1889 | P | 65.6 | Low | 79 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -75.4 | -18.8 | -176.2 | 25.3 | -31.4 | 0 | 0 | 0 | 114.6 | C1729 T1886 L1900 M1954 L2265 | C1729-P1889 HydrophobicContact CB-CG 4.2Å; T1886-P1889 HydrophobicContact CG2-CB 3.84Å; P1889-L1900 VanDerWaalsContact O-CD1 3.3Å; P1889-L1900 WeakPolarHBondContact O-CD1 3.43Å; P1889-M1954 HydrophobicContact CB-CE 3.86Å; P1889-M1954 HydrophobicContact CG-CE 3.79Å; P1889-L2265 HydrophobicContact CB-CD2 4.33Å; P1889-L2265 HydrophobicContact CG-CD1 3.48Å; P1889-L2265 VanDerWaalsContact CG-CD1 3.48Å; P1889-L2265 HydrophobicContact CG-CD2 3.57Å; P1889-L2265 HydrophobicContact CG-CG 4.17Å |
| 1890 | I | 69.4 | Low | 79.2 | Confident | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | trans | -131.1 | 147 | 172 | -62.9 | 174.3 | 0 | 0 | 0 | 108.4 | L1897 A2261 V2264 L2265 | I1890-L1897 HydrophobicContact CD1-CB 4.39Å; I1890-L1897 HydrophobicContact CD1-CD1 4.33Å; I1890-L1897 HydrophobicContact CD1-CD2 4.3Å; I1890-L1897 HydrophobicContact CG1-CD1 4.49Å; I1890-A2261 WeakPolarHBondContact O-CB 3.45Å; I1890-V2264 HydrophobicContact CD1-CB 3.76Å; I1890-V2264 HydrophobicContact CD1-CG1 3.4Å; I1890-V2264 VanDerWaalsContact CD1-CG1 3.4Å; I1890-L2265 HydrophobicContact CD1-CD2 3.85Å; I1890-L2265 HydrophobicContact CD1-CG 4.39Å; I1890-L2265 HydrophobicContact CG1-CD2 4.13Å | ||
| 1891 | Q | 60.2 | Low | 79.6 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 5% | 0.051 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -127.9 | -41.3 | 178.7 | -68.5 | -176.8 | -12.4 | 0 | 0 | 113.5 | H1861 E1896 | H1861-Q1891 PolarHBondContact CD2-NE2 3.2Å; Q1891-E1896 WeakPolarHBondContact CA-OE2 3.4Å; Q1891-E1896 PolarHBondContact N-OE2 3.09Å |
| 1892 | N | 59.8 | Low | 79.7 | Confident | 58 Ų | 58 | 22.5 Ų | 22.5 | 31% | 0.31 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -142.3 | -28 | -169.4 | -43.4 | -88.9 | 0 | 0 | 0 | 115 | K1864 E1896 L2260 | K1864-N1892 PolarHBondContact NZ-ND2 2.9Å; N1892-E1896 WeakPolarHBondContact CB-OE1 3.49Å; N1892-E1896 PolarHBondContact N-OE1 3.05Å; N1892-E1896 PolarHBondContact N-OE2 3.12Å; N1892-E1896 PolarHBondContact ND2-OE1 3.06Å; N1892-L2260 WeakPolarHBondContact O-CD2 3.42Å |
| 1893 | R | 66.3 | Low | 79.6 | Confident | 164 Ų | 164 | 20.9 Ų | 20.9 | 62% | 0.619 | 10% | 0.103 | S | C | * | . | trans | -151.4 | 145.4 | -172.4 | -62.5 | -175.7 | -179 | 179.9 | -1.5 | 112.6 | T1895 E1896 | R1893-T1895 WeakPolarHBondContact CB-OG1 3.46Å; R1893-T1895 PolarHBondContact O-N 3.1Å; R1893-T1895 VanDerWaalsContact O-N 3.11Å; R1893-E1896 HydrophobicContact CB-CG 4.28Å; R1893-E1896 PolarHBondContact N-OE2 3.35Å; R1893-E1896 VanDerWaalsContact O-CB 3.27Å; R1893-E1896 WeakPolarHBondContact O-CB 3.48Å; R1893-E1896 WeakPolarHBondContact O-CG 3.45Å; R1893-E1896 PolarHBondContact O-N 3.49Å | ||
| 1894 | V | 73.8 | Confident | 79.3 | Confident | 23 Ų | 23 | 20.7 Ų | 20.7 | 14% | 0.139 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.2 | -24.9 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | E1896 L1897 F1915 L1946 | V1894-E1896 VanDerWaalsContact C-N 3.27Å; V1894-E1896 PolarHBondContact O-N 2.81Å; V1894-L1897 WeakPolarHBondContact O-CB 3.47Å; V1894-L1897 PolarHBondContact O-N 2.66Å; V1894-F1915 HydrophobicContact CG1-CE1 4.22Å; V1894-F1915 HydrophobicContact CG1-CZ 3.93Å; V1894-L1946 HydrophobicContact CG1-CD2 3.44Å; V1894-L1946 VanDerWaalsContact CG1-CD2 3.44Å |
| 1895 | T | 80.6 | Confident | 78.7 | Confident | 47 Ų | 47 | 20.8 Ų | 20.8 | 29% | 0.288 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -67.5 | -20.9 | 173.5 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | R1893 L1897 W1898 S1899 L1916 | R1893-T1895 WeakPolarHBondContact CB-OG1 3.46Å; R1893-T1895 PolarHBondContact O-N 3.1Å; R1893-T1895 VanDerWaalsContact O-N 3.11Å; T1895-L1897 VanDerWaalsContact C-N 3.28Å; T1895-W1898 PolarHBondContact O-N 2.78Å; T1895-S1899 PolarHBondContact O-N 2.92Å; T1895-L1916 HydrophobicContact CG2-CD2 3.7Å |
| 1896 | E | 80.2 | Confident | 78 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 8% | 0.075 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.5 | -62 | 175.6 | 151.5 | 0 | 0 | 110.2 | K1864 Q1891 N1892 R1893 V1894 W1898 S1899 L1900 | K1864-E1896 HydrophobicContact CB-CB 4.07Å; K1864-E1896 HydrophobicContact CB-CG 4.01Å; Q1891-E1896 WeakPolarHBondContact CA-OE2 3.4Å; Q1891-E1896 PolarHBondContact N-OE2 3.09Å; N1892-E1896 WeakPolarHBondContact CB-OE1 3.49Å; N1892-E1896 PolarHBondContact N-OE1 3.05Å; N1892-E1896 PolarHBondContact N-OE2 3.12Å; N1892-E1896 PolarHBondContact ND2-OE1 3.06Å; R1893-E1896 HydrophobicContact CB-CG 4.28Å; R1893-E1896 PolarHBondContact N-OE2 3.35Å; R1893-E1896 VanDerWaalsContact O-CB 3.27Å; R1893-E1896 WeakPolarHBondContact O-CB 3.48Å; R1893-E1896 WeakPolarHBondContact O-CG 3.45Å; R1893-E1896 PolarHBondContact O-N 3.49Å; V1894-E1896 VanDerWaalsContact C-N 3.27Å; V1894-E1896 PolarHBondContact O-N 2.81Å; E1896-W1898 PolarHBondContact O-N 2.72Å; E1896-S1899 WeakPolarHBondContact O-CB 3.4Å; E1896-S1899 PolarHBondContact O-N 3.45Å; E1896-S1899 VanDerWaalsContact O-N 3.15Å; E1896-L1900 PolarHBondContact O-N 3.08Å |
| 1897 | L | 82.8 | Confident | 77.5 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 175.8 | -169 | 64.8 | 0 | 0 | 0 | 112.1 | I1890 V1894 T1895 S1899 L1900 F1901 L1946 V1950 M1954 | I1890-L1897 HydrophobicContact CD1-CB 4.39Å; I1890-L1897 HydrophobicContact CD1-CD1 4.33Å; I1890-L1897 HydrophobicContact CD1-CD2 4.3Å; I1890-L1897 HydrophobicContact CG1-CD1 4.49Å; V1894-L1897 WeakPolarHBondContact O-CB 3.47Å; V1894-L1897 PolarHBondContact O-N 2.66Å; T1895-L1897 VanDerWaalsContact C-N 3.28Å; L1897-S1899 VanDerWaalsContact C-N 3.31Å; L1897-S1899 PolarHBondContact O-N 2.68Å; L1897-L1900 PolarHBondContact O-N 3.05Å; L1897-F1901 HydrophobicContact CD1-CD2 3.97Å; L1897-F1901 HydrophobicContact CD1-CE2 3.81Å; L1897-F1901 HydrophobicContact CG-CD2 4.15Å; L1897-F1901 HydrophobicContact CG-CE2 4.34Å; L1897-F1901 WeakPolarHBondContact O-CD2 3.25Å; L1897-F1901 PolarHBondContact O-N 3.38Å; L1897-L1946 HydrophobicContact CD2-CD2 4.37Å; L1897-L1946 HydrophobicContact CD2-CG 4.47Å; L1897-V1950 HydrophobicContact CD1-CG1 4.08Å; L1897-V1950 HydrophobicContact CD2-CG1 4.13Å; L1897-V1950 HydrophobicContact CD2-CG2 3.99Å; L1897-V1950 HydrophobicContact CG-CG1 4.48Å; L1897-V1950 HydrophobicContact CG-CG2 4.42Å; L1897-M1954 HydrophobicContact CD1-SD 3.99Å |
| 1898 | W | 87.8 | Confident | 78 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 173.5 | -179.3 | 84.1 | 0 | 0 | 0 | 112 | T1895 E1896 L1900 F1901 D1902 G1910 E1912 F1915 | T1895-W1898 PolarHBondContact O-N 2.78Å; E1896-W1898 PolarHBondContact O-N 2.72Å; W1898-L1900 VanDerWaalsContact C-N 3.32Å; W1898-L1900 PolarHBondContact O-N 2.84Å; W1898-F1901 PolarHBondContact O-N 3.23Å; W1898-D1902 HydrophobicContact CH2-CB 4.48Å; W1898-D1902 HydrophobicContact CZ2-CB 4.22Å; W1898-D1902 VanDerWaalsContact O-CB 3.32Å; W1898-D1902 WeakPolarHBondContact O-CB 3.37Å; W1898-D1902 PolarHBondContact O-N 3.15Å; W1898-G1910 PolarHBondContact NE1-O 2.79Å; W1898-E1912 HydrophobicContact CD2-CB 4.49Å; W1898-E1912 HydrophobicContact CE3-CB 4.19Å; W1898-E1912 HydrophobicContact CE3-CG 3.97Å; W1898-E1912 HydrophobicContact CH2-CB 3.63Å; W1898-E1912 HydrophobicContact CH2-CG 4.21Å; W1898-E1912 HydrophobicContact CZ2-CB 3.93Å; W1898-E1912 VanDerWaalsContact CZ2-N 3.31Å; W1898-E1912 HydrophobicContact CZ3-CB 3.73Å; W1898-E1912 HydrophobicContact CZ3-CG 3.76Å; W1898-E1912 VanDerWaalsContact CZ3-OE2 3.3Å; W1898-E1912 WeakPolarHBondContact CZ3-OE2 3.48Å; W1898-F1915 HydrophobicContact CB-CD1 3.81Å; W1898-F1915 HydrophobicContact CB-CD2 4.2Å; W1898-F1915 HydrophobicContact CB-CE1 3.8Å; W1898-F1915 HydrophobicContact CB-CE2 4.19Å; W1898-F1915 HydrophobicContact CB-CG 4Å; W1898-F1915 HydrophobicContact CB-CZ 3.98Å; W1898-F1915 AromaticContact CD1-CD2 3.69Å; W1898-F1915 AromaticContact CD1-CG 3.58Å; W1898-F1915 HydrophobicContact CG-CB 4.23Å; W1898-F1915 HydrophobicContact CG-CD1 4.11Å; W1898-F1915 HydrophobicContact CG-CD2 4.26Å; W1898-F1915 AromaticContact CG-CG 3.93Å; W1898-F1915 HydrophobicContact CG-CG 3.93Å |
| 1899 | S | 86.5 | Confident | 78.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 178.3 | -164.7 | 0 | 0 | 0 | 0 | 112.8 | I1863 K1864 S1866 K1875 T1895 E1896 L1897 | I1863-S1899 PolarHBondContact O-OG 3.37Å; K1864-S1899 WeakPolarHBondContact O-CB 3.29Å; S1866-S1899 PolarHBondContact N-OG 3.16Å; K1875-S1899 PolarHBondContact NZ-O 2.96Å; T1895-S1899 PolarHBondContact O-N 2.92Å; E1896-S1899 WeakPolarHBondContact O-CB 3.4Å; E1896-S1899 PolarHBondContact O-N 3.45Å; E1896-S1899 VanDerWaalsContact O-N 3.15Å; L1897-S1899 VanDerWaalsContact C-N 3.31Å; L1897-S1899 PolarHBondContact O-N 2.68Å |
| 1900 | L | 88.4 | Confident | 79 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.5 | -49.4 | 174.3 | -61.9 | 172.1 | 0 | 0 | 0 | 111.4 | I1863 I1884 P1889 E1896 L1897 W1898 D1902 F1903 L1904 | I1863-L1900 HydrophobicContact CD1-CD2 4.06Å; I1863-L1900 HydrophobicContact CG1-CD2 3.87Å; I1884-L1900 HydrophobicContact CD1-CB 4.15Å; I1884-L1900 HydrophobicContact CD1-CD2 3.9Å; P1889-L1900 VanDerWaalsContact O-CD1 3.3Å; P1889-L1900 WeakPolarHBondContact O-CD1 3.43Å; E1896-L1900 PolarHBondContact O-N 3.08Å; L1897-L1900 PolarHBondContact O-N 3.05Å; W1898-L1900 VanDerWaalsContact C-N 3.32Å; W1898-L1900 PolarHBondContact O-N 2.84Å; L1900-D1902 PolarHBondContact O-N 2.83Å; L1900-F1903 WeakPolarHBondContact O-CB 3.48Å; L1900-F1903 PolarHBondContact O-N 3.43Å; L1900-F1903 VanDerWaalsContact O-N 3.1Å; L1900-L1904 PolarHBondContact O-N 3.02Å |
| 1901 | F | 88.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.6 | -32.1 | -178.2 | -89.6 | -93.8 | 0 | 0 | 0 | 113.5 | L1897 W1898 F1903 L1904 M1905 F1908 L1909 V1950 F1953 M1954 | L1897-F1901 HydrophobicContact CD1-CD2 3.97Å; L1897-F1901 HydrophobicContact CD1-CE2 3.81Å; L1897-F1901 HydrophobicContact CG-CD2 4.15Å; L1897-F1901 HydrophobicContact CG-CE2 4.34Å; L1897-F1901 WeakPolarHBondContact O-CD2 3.25Å; L1897-F1901 PolarHBondContact O-N 3.38Å; W1898-F1901 PolarHBondContact O-N 3.23Å; F1901-F1903 PolarHBondContact O-N 2.71Å; F1901-L1904 HydrophobicContact CD1-CD1 4.42Å; F1901-L1904 HydrophobicContact CE1-CD1 4.42Å; F1901-L1904 HydrophobicContact CZ-CD1 4.48Å; F1901-L1904 PolarHBondContact O-N 2.99Å; F1901-L1904 VanDerWaalsContact O-N 3.12Å; F1901-M1905 HydrophobicContact CD1-CE 4.01Å; F1901-M1905 HydrophobicContact CE1-CE 3.95Å; F1901-M1905 CarbonylContact O-C 3.52Å; F1901-M1905 PolarHBondContact O-N 3.4Å; F1901-F1908 AromaticContact CD1-CD1 3.82Å; F1901-F1908 HydrophobicContact CD1-CD1 3.82Å; F1901-F1908 HydrophobicContact CD1-CE1 4.02Å; F1901-F1908 HydrophobicContact CE1-CD1 4.4Å; F1901-F1908 HydrophobicContact CE1-CE1 4.16Å; F1901-L1909 HydrophobicContact CB-CD1 3.61Å; F1901-L1909 HydrophobicContact CB-CG 4.2Å; F1901-L1909 HydrophobicContact CD2-CD1 4.48Å; F1901-L1909 HydrophobicContact CG-CD1 4Å; F1901-V1950 HydrophobicContact CD2-CG2 4.38Å; F1901-V1950 HydrophobicContact CE1-CG2 4.46Å; F1901-V1950 HydrophobicContact CE2-CB 4.3Å; F1901-V1950 HydrophobicContact CE2-CG1 3.71Å; F1901-V1950 HydrophobicContact CE2-CG2 3.97Å; F1901-V1950 HydrophobicContact CZ-CB 4.11Å; F1901-V1950 HydrophobicContact CZ-CG1 3.78Å; F1901-V1950 HydrophobicContact CZ-CG2 4.01Å; F1901-F1953 HydrophobicContact CE1-CB 4Å; F1901-F1953 AromaticContact CE1-CD2 3.96Å; F1901-F1953 HydrophobicContact CE1-CD2 3.96Å; F1901-F1953 HydrophobicContact CE1-CG 4.26Å; F1901-F1953 HydrophobicContact CZ-CB 4.06Å; F1901-M1954 HydrophobicContact CE2-CG 4.45Å; F1901-M1954 HydrophobicContact CE2-SD 4.06Å; F1901-M1954 HydrophobicContact CZ-CG 4.33Å; F1901-M1954 HydrophobicContact CZ-SD 4.43Å |
| 1902 | D | 87.8 | Confident | 80.4 | Confident | 37 Ų | 37 | 27 Ų | 27 | 20% | 0.198 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.3 | -22.8 | 172.2 | -175.7 | 57.5 | 0 | 0 | 0 | 112.7 | K1875 W1898 L1900 | K1875-D1902 VanDerWaalsContact CE-OD2 3.3Å; K1875-D1902 WeakPolarHBondContact CE-OD2 3.33Å; K1875-D1902 IonicContact NZ-OD2 3.9Å; K1875-D1902 PolarHBondContact NZ-OD2 2.74Å; W1898-D1902 HydrophobicContact CH2-CB 4.48Å; W1898-D1902 HydrophobicContact CZ2-CB 4.22Å; W1898-D1902 VanDerWaalsContact O-CB 3.32Å; W1898-D1902 WeakPolarHBondContact O-CB 3.37Å; W1898-D1902 PolarHBondContact O-N 3.15Å; L1900-D1902 PolarHBondContact O-N 2.83Å |
| 1903 | F | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -77.2 | -42.1 | 165.5 | 172 | -98.1 | 0 | 0 | 0 | 112.2 | I1855 L1857 I1863 V1874 K1875 R1882 I1884 L1900 F1901 | I1855-F1903 HydrophobicContact CB-CZ 4.46Å; I1855-F1903 HydrophobicContact CG2-CZ 3.89Å; L1857-F1903 HydrophobicContact CD1-CD1 3.79Å; L1857-F1903 HydrophobicContact CD1-CD2 4.45Å; L1857-F1903 HydrophobicContact CD1-CE1 3.5Å; L1857-F1903 VanDerWaalsContact CD1-CE1 3.5Å; L1857-F1903 HydrophobicContact CD1-CE2 4.22Å; L1857-F1903 HydrophobicContact CD1-CG 4.25Å; L1857-F1903 HydrophobicContact CD1-CZ 3.73Å; L1857-F1903 HydrophobicContact CD2-CZ 4.3Å; L1857-F1903 HydrophobicContact CG-CE1 3.83Å; L1857-F1903 HydrophobicContact CG-CZ 3.9Å; I1863-F1903 HydrophobicContact CD1-CB 3.94Å; I1863-F1903 HydrophobicContact CD1-CD1 4.39Å; I1863-F1903 HydrophobicContact CD1-CG 4.15Å; V1874-F1903 HydrophobicContact CG1-CD2 3.71Å; V1874-F1903 HydrophobicContact CG1-CE2 3.49Å; V1874-F1903 VanDerWaalsContact CG1-CE2 3.49Å; V1874-F1903 HydrophobicContact CG1-CZ 4.22Å; K1875-F1903 HydrophobicContact CG-CB 4.43Å; K1875-F1903 HydrophobicContact CG-CD2 4.46Å; R1882-F1903 HydrophobicContact CB-CE1 3.91Å; R1882-F1903 HydrophobicContact CB-CZ 4.21Å; R1882-F1903 WeakPolarHBondContact CD-O 3.39Å; R1882-F1903 HydrophobicContact CG-CE1 4.37Å; R1882-F1903 HydrophobicContact CG-CZ 4.21Å; R1882-F1903 PolarHBondContact NH1-O 3.2Å; I1884-F1903 HydrophobicContact CD1-CD1 3.97Å; I1884-F1903 HydrophobicContact CG1-CD1 4.08Å; I1884-F1903 HydrophobicContact CG1-CE1 4.2Å; L1900-F1903 WeakPolarHBondContact O-CB 3.48Å; L1900-F1903 PolarHBondContact O-N 3.43Å; L1900-F1903 VanDerWaalsContact O-N 3.1Å; F1901-F1903 PolarHBondContact O-N 2.71Å |
| 1904 | L | 86.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.8 | -51 | -178.6 | -64.6 | 169.8 | 0 | 0 | 0 | 112.9 | N1725 V1727 R1882 I1884 L1900 F1901 | N1725-L1904 HydrophobicContact CB-CB 4.15Å; N1725-L1904 HydrophobicContact CB-CD2 4.11Å; N1725-L1904 PolarHBondContact ND2-O 2.99Å; V1727-L1904 HydrophobicContact CG2-CD1 3.58Å; R1882-L1904 HydrophobicContact CB-CD2 4.41Å; I1884-L1904 HydrophobicContact CD1-CD1 4.26Å; I1884-L1904 HydrophobicContact CD1-CD2 3.9Å; I1884-L1904 HydrophobicContact CD1-CG 3.94Å; I1884-L1904 HydrophobicContact CG1-CD2 3.89Å; I1884-L1904 HydrophobicContact CG1-CG 4.49Å; L1900-L1904 PolarHBondContact O-N 3.02Å; F1901-L1904 HydrophobicContact CD1-CD1 4.42Å; F1901-L1904 HydrophobicContact CE1-CD1 4.42Å; F1901-L1904 HydrophobicContact CZ-CD1 4.48Å; F1901-L1904 PolarHBondContact O-N 2.99Å; F1901-L1904 VanDerWaalsContact O-N 3.12Å |
| 1905 | M | 82.1 | Confident | 82.1 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -142.6 | 88.8 | -173 | -64.3 | -173.6 | -71.3 | 0 | 0 | 108.9 | F1649 F1901 E1907 F1908 F1953 | F1649-M1905 HydrophobicContact CE1-SD 4.26Å; F1901-M1905 HydrophobicContact CD1-CE 4.01Å; F1901-M1905 HydrophobicContact CE1-CE 3.95Å; F1901-M1905 CarbonylContact O-C 3.52Å; F1901-M1905 PolarHBondContact O-N 3.4Å; M1905-E1907 PolarHBondContact O-N 3.11Å; M1905-F1908 HydrophobicContact CB-CB 3.75Å; M1905-F1908 HydrophobicContact CB-CG 4.3Å; M1905-F1908 HydrophobicContact CE-CD1 3.81Å; M1905-F1908 HydrophobicContact CE-CD2 4.25Å; M1905-F1908 HydrophobicContact CE-CE1 3.92Å; M1905-F1908 HydrophobicContact CE-CE2 4.35Å; M1905-F1908 HydrophobicContact CE-CG 4Å; M1905-F1908 HydrophobicContact CE-CZ 4.19Å; M1905-F1908 WeakPolarHBondContact O-CB 3.32Å; M1905-F1908 PolarHBondContact O-N 3.25Å; M1905-F1953 HydrophobicContact CE-CD1 4.01Å; M1905-F1953 HydrophobicContact CE-CD2 3.81Å; M1905-F1953 HydrophobicContact CE-CE1 4.14Å; M1905-F1953 HydrophobicContact CE-CE2 3.93Å; M1905-F1953 HydrophobicContact CE-CG 3.86Å; M1905-F1953 HydrophobicContact CE-CZ 4.11Å; M1905-F1953 HydrophobicContact SD-CE1 4.48Å |
| 1906 | P | 76.7 | Confident | 82.2 | Confident | 40 Ų | 40 | 22.8 Ų | 22.8 | 26% | 0.26 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 139.2 | -178.9 | -27.3 | 34.9 | 0 | 0 | 0 | 112.5 | F1908 | P1906-F1908 PolarHBondContact O-N 2.65Å; P1906-F1908 VanDerWaalsContact O-N 3.09Å |
| 1907 | E | 74 | Confident | 81.9 | Confident | 35 Ų | 35 | 23.6 Ų | 23.6 | 16% | 0.164 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 2.2 | -178.2 | -69.9 | -82.2 | 165.3 | 0 | 0 | 116.8 | R1647 M1905 L1909 G1910 T1911 | R1647-E1907 HydrophobicContact CG-CB 4.46Å; R1647-E1907 IonicContact CZ-OE2 3.87Å; R1647-E1907 VanDerWaalsContact CZ-OE2 3.23Å; R1647-E1907 IonicContact NE-OE2 2.92Å; R1647-E1907 PolarHBondContact NE-OE2 3.47Å; R1647-E1907 IonicContact NH2-OE1 2.76Å; R1647-E1907 IonicContact NH2-OE2 2.98Å; R1647-E1907 PolarHBondContact NH2-OE2 3.19Å; M1905-E1907 PolarHBondContact O-N 3.11Å; E1907-L1909 VanDerWaalsContact C-N 3.34Å; E1907-L1909 PolarHBondContact O-N 3.33Å; E1907-G1910 PolarHBondContact O-N 2.81Å; E1907-T1911 WeakPolarHBondContact OE1-CG2 3.47Å |
| 1908 | F | 82.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -41.6 | 176.4 | 174.2 | -111.2 | 0 | 0 | 0 | 113.2 | F1649 A1650 L1653 F1901 M1905 P1906 L1949 F1953 | F1649-F1908 AromaticContact CD1-CD2 3.9Å; F1649-F1908 HydrophobicContact CD1-CD2 3.9Å; F1649-F1908 AromaticContact CD1-CE2 3.62Å; F1649-F1908 HydrophobicContact CD1-CE2 3.62Å; F1649-F1908 AromaticContact CE1-CE2 3.98Å; F1649-F1908 HydrophobicContact CE1-CE2 3.98Å; A1650-F1908 HydrophobicContact CB-CD2 3.79Å; A1650-F1908 HydrophobicContact CB-CE2 3.75Å; A1650-F1908 VanDerWaalsContact CB-O 3.3Å; A1650-F1908 WeakPolarHBondContact CB-O 3.43Å; L1653-F1908 HydrophobicContact CD2-CE2 4.45Å; L1653-F1908 HydrophobicContact CD2-CZ 4.06Å; F1901-F1908 AromaticContact CD1-CD1 3.82Å; F1901-F1908 HydrophobicContact CD1-CD1 3.82Å; F1901-F1908 HydrophobicContact CD1-CE1 4.02Å; F1901-F1908 HydrophobicContact CE1-CD1 4.4Å; F1901-F1908 HydrophobicContact CE1-CE1 4.16Å; M1905-F1908 HydrophobicContact CB-CB 3.75Å; M1905-F1908 HydrophobicContact CB-CG 4.3Å; M1905-F1908 HydrophobicContact CE-CD1 3.81Å; M1905-F1908 HydrophobicContact CE-CD2 4.25Å; M1905-F1908 HydrophobicContact CE-CE1 3.92Å; M1905-F1908 HydrophobicContact CE-CE2 4.35Å; M1905-F1908 HydrophobicContact CE-CG 4Å; M1905-F1908 HydrophobicContact CE-CZ 4.19Å; M1905-F1908 WeakPolarHBondContact O-CB 3.32Å; M1905-F1908 PolarHBondContact O-N 3.25Å; P1906-F1908 PolarHBondContact O-N 2.65Å; P1906-F1908 VanDerWaalsContact O-N 3.09Å; F1908-L1949 HydrophobicContact CE1-CB 4.32Å; F1908-L1949 WeakPolarHBondContact CE1-O 3.03Å; F1908-L1949 HydrophobicContact CE2-CD2 4.47Å; F1908-L1949 HydrophobicContact CZ-CB 4.27Å; F1908-L1949 HydrophobicContact CZ-CD2 4.02Å; F1908-L1949 VanDerWaalsContact CZ-O 3.29Å; F1908-L1949 WeakPolarHBondContact CZ-O 3.13Å; F1908-F1953 HydrophobicContact CE1-CE2 4.36Å; F1908-F1953 AromaticContact CZ-CE2 3.86Å; F1908-F1953 HydrophobicContact CZ-CE2 3.86Å |
| 1909 | L | 82.3 | Confident | 81.3 | Confident | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 10.9 | 174.3 | -61.7 | 179.4 | 0 | 0 | 0 | 112.9 | F1901 E1907 F1915 L1946 L1949 | F1901-L1909 HydrophobicContact CB-CD1 3.61Å; F1901-L1909 HydrophobicContact CB-CG 4.2Å; F1901-L1909 HydrophobicContact CD2-CD1 4.48Å; F1901-L1909 HydrophobicContact CG-CD1 4Å; E1907-L1909 VanDerWaalsContact C-N 3.34Å; E1907-L1909 PolarHBondContact O-N 3.33Å; L1909-F1915 HydrophobicContact CB-CD2 4.04Å; L1909-F1915 HydrophobicContact CB-CE2 4.45Å; L1909-F1915 HydrophobicContact CD1-CD2 4.35Å; L1909-F1915 HydrophobicContact CD1-CE2 3.96Å; L1909-L1946 HydrophobicContact CD2-CD1 4.3Å; L1909-L1949 HydrophobicContact CD2-CB 4.34Å; L1909-L1949 HydrophobicContact CD2-CD1 4.15Å |
| 1910 | G | 76 | Confident | 80.9 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | trans | 69 | -167.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1898 E1907 | W1898-G1910 PolarHBondContact NE1-O 2.79Å; E1907-G1910 PolarHBondContact O-N 2.81Å | ||
| 1911 | T | 78 | Confident | 80.5 | Confident | 29 Ų | 29 | 32.3 Ų | 32.3 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | trans | -73.7 | 162.4 | -179.6 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | Y1265 E1907 Q1913 Y1914 F1915 | Y1265-T1911 HydrophobicContact CD2-CG2 3.94Å; Y1265-T1911 HydrophobicContact CE2-CG2 3.42Å; Y1265-T1911 VanDerWaalsContact CE2-CG2 3.42Å; E1907-T1911 WeakPolarHBondContact OE1-CG2 3.47Å; T1911-Q1913 PolarHBondContact O-N 3.5Å; T1911-Y1914 PolarHBondContact O-N 2.8Å; T1911-Y1914 VanDerWaalsContact O-N 3.15Å; T1911-Y1914 WeakPolarHBondContact OG1-CB 3.3Å; T1911-Y1914 PolarHBondContact OG1-N 3.49Å; T1911-F1915 WeakPolarHBondContact O-CB 3.39Å; T1911-F1915 PolarHBondContact O-N 3.4Å | ||
| 1912 | E | 80.7 | Confident | 80 | Confident | 63 Ų | 63 | 33.6 Ų | 33.6 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -53.8 | -40.3 | 177.7 | -163.5 | 174.2 | 130.6 | 0 | 0 | 111.4 | S1866 W1898 L1916 | S1866-E1912 WeakPolarHBondContact CB-OE2 3.31Å; S1866-E1912 PolarHBondContact OG-OE2 3.44Å; W1898-E1912 HydrophobicContact CD2-CB 4.49Å; W1898-E1912 HydrophobicContact CE3-CB 4.19Å; W1898-E1912 HydrophobicContact CE3-CG 3.97Å; W1898-E1912 HydrophobicContact CH2-CB 3.63Å; W1898-E1912 HydrophobicContact CH2-CG 4.21Å; W1898-E1912 HydrophobicContact CZ2-CB 3.93Å; W1898-E1912 VanDerWaalsContact CZ2-N 3.31Å; W1898-E1912 HydrophobicContact CZ3-CB 3.73Å; W1898-E1912 HydrophobicContact CZ3-CG 3.76Å; W1898-E1912 VanDerWaalsContact CZ3-OE2 3.3Å; W1898-E1912 WeakPolarHBondContact CZ3-OE2 3.48Å; E1912-L1916 HydrophobicContact CG-CD1 4.42Å; E1912-L1916 WeakPolarHBondContact O-CB 3.13Å; E1912-L1916 WeakPolarHBondContact O-CG 3.22Å; E1912-L1916 PolarHBondContact O-N 2.83Å |
| 1913 | Q | 75.4 | Confident | 79.3 | Confident | 102 Ų | 102 | 32.5 Ų | 32.5 | 48% | 0.477 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 178.4 | -70 | 176.2 | -23.2 | 0 | 0 | 112.9 | T1911 L1916 A1917 | T1911-Q1913 PolarHBondContact O-N 3.5Å; Q1913-L1916 PolarHBondContact O-N 2.91Å; Q1913-A1917 WeakPolarHBondContact O-CB 3.06Å; Q1913-A1917 PolarHBondContact O-N 3.25Å |
| 1914 | Y | 76.8 | Confident | 78.5 | Confident | 42 Ų | 42 | 34.1 Ų | 34.1 | 17% | 0.165 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 175.9 | 176.7 | -97.6 | 0 | 0 | 0 | 111.3 | Y1265 E1605 T1911 L1916 A1917 K1918 | Y1265-Y1914 AromaticContact CE1-CD2 3.77Å; Y1265-Y1914 HydrophobicContact CE1-CD2 3.77Å; Y1265-Y1914 HydrophobicContact CE1-CG 4.1Å; E1605-Y1914 PolarHBondContact OE2-OH 3.29Å; T1911-Y1914 PolarHBondContact O-N 2.8Å; T1911-Y1914 VanDerWaalsContact O-N 3.15Å; T1911-Y1914 WeakPolarHBondContact OG1-CB 3.3Å; T1911-Y1914 PolarHBondContact OG1-N 3.49Å; Y1914-L1916 VanDerWaalsContact C-N 3.34Å; Y1914-L1916 PolarHBondContact O-N 3.47Å; Y1914-A1917 PolarHBondContact O-N 3.15Å; Y1914-K1918 HydrophobicContact CD1-CD 4.39Å; Y1914-K1918 HydrophobicContact CE1-CD 3.65Å; Y1914-K1918 HydrophobicContact CE2-CD 4.1Å; Y1914-K1918 WeakPolarHBondContact O-CB 3.43Å; Y1914-K1918 PolarHBondContact O-N 2.64Å; Y1914-K1918 PolarHBondContact OH-NZ 2.84Å |
| 1915 | F | 83.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 175.7 | -175.1 | -95.1 | 0 | 0 | 0 | 112 | V1894 W1898 L1909 T1911 F1919 A1920 L1946 | V1894-F1915 HydrophobicContact CG1-CE1 4.22Å; V1894-F1915 HydrophobicContact CG1-CZ 3.93Å; W1898-F1915 HydrophobicContact CB-CD1 3.81Å; W1898-F1915 HydrophobicContact CB-CD2 4.2Å; W1898-F1915 HydrophobicContact CB-CE1 3.8Å; W1898-F1915 HydrophobicContact CB-CE2 4.19Å; W1898-F1915 HydrophobicContact CB-CG 4Å; W1898-F1915 HydrophobicContact CB-CZ 3.98Å; W1898-F1915 AromaticContact CD1-CD2 3.69Å; W1898-F1915 AromaticContact CD1-CG 3.58Å; W1898-F1915 HydrophobicContact CG-CB 4.23Å; W1898-F1915 HydrophobicContact CG-CD1 4.11Å; W1898-F1915 HydrophobicContact CG-CD2 4.26Å; W1898-F1915 AromaticContact CG-CG 3.93Å; W1898-F1915 HydrophobicContact CG-CG 3.93Å; L1909-F1915 HydrophobicContact CB-CD2 4.04Å; L1909-F1915 HydrophobicContact CB-CE2 4.45Å; L1909-F1915 HydrophobicContact CD1-CD2 4.35Å; L1909-F1915 HydrophobicContact CD1-CE2 3.96Å; T1911-F1915 WeakPolarHBondContact O-CB 3.39Å; T1911-F1915 PolarHBondContact O-N 3.4Å; F1915-F1919 AromaticContact CD2-CD2 3.56Å; F1915-F1919 HydrophobicContact CD2-CD2 3.56Å; F1915-F1919 HydrophobicContact CD2-CE2 4.17Å; F1915-F1919 HydrophobicContact CD2-CG 4.43Å; F1915-F1919 HydrophobicContact CE2-CB 4.39Å; F1915-F1919 AromaticContact CE2-CD2 3.83Å; F1915-F1919 HydrophobicContact CE2-CD2 3.83Å; F1915-F1919 HydrophobicContact CE2-CE2 4.48Å; F1915-F1919 HydrophobicContact CE2-CG 4.34Å; F1915-F1919 HydrophobicContact CG-CD2 4.28Å; F1915-F1919 WeakPolarHBondContact O-CB 3.46Å; F1915-F1919 PolarHBondContact O-N 3.06Å; F1915-A1920 PolarHBondContact O-N 2.95Å; F1915-L1946 HydrophobicContact CE2-CD1 3.74Å; F1915-L1946 HydrophobicContact CE2-CD2 4.4Å; F1915-L1946 HydrophobicContact CZ-CD1 4.26Å; F1915-L1946 HydrophobicContact CZ-CD2 4.16Å |
| 1916 | L | 82.4 | Confident | 77.1 | Confident | 58 Ų | 58 | 38 Ų | 38 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -62.9 | -43.1 | 175.8 | -74.5 | 169.7 | 0 | 0 | 0 | 112.4 | T1895 E1912 Q1913 Y1914 A1920 R1921 | T1895-L1916 HydrophobicContact CG2-CD2 3.7Å; E1912-L1916 HydrophobicContact CG-CD1 4.42Å; E1912-L1916 WeakPolarHBondContact O-CB 3.13Å; E1912-L1916 WeakPolarHBondContact O-CG 3.22Å; E1912-L1916 PolarHBondContact O-N 2.83Å; Q1913-L1916 PolarHBondContact O-N 2.91Å; Y1914-L1916 VanDerWaalsContact C-N 3.34Å; Y1914-L1916 PolarHBondContact O-N 3.47Å; L1916-A1920 HydrophobicContact CD2-CB 3.78Å; L1916-A1920 PolarHBondContact O-N 2.87Å; L1916-R1921 WeakPolarHBondContact O-CB 3.3Å; L1916-R1921 WeakPolarHBondContact O-CG 3.18Å; L1916-R1921 PolarHBondContact O-N 2.81Å |
| 1917 | A | 73.6 | Confident | 76.4 | Confident | 33 Ų | 33 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -71.8 | -40.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1913 Y1914 P1922 | Q1913-A1917 WeakPolarHBondContact O-CB 3.06Å; Q1913-A1917 PolarHBondContact O-N 3.25Å; Y1914-A1917 PolarHBondContact O-N 3.15Å; A1917-P1922 WeakPolarHBondContact O-CD 3.27Å |
| 1918 | K | 76.1 | Confident | 75.9 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -86.3 | -30.9 | -173.2 | -173 | 167.2 | 178.9 | 166.5 | 0 | 114 | E1605 Y1914 | E1605-K1918 IonicContact OE2-NZ 2.75Å; Y1914-K1918 HydrophobicContact CD1-CD 4.39Å; Y1914-K1918 HydrophobicContact CE1-CD 3.65Å; Y1914-K1918 HydrophobicContact CE2-CD 4.1Å; Y1914-K1918 WeakPolarHBondContact O-CB 3.43Å; Y1914-K1918 PolarHBondContact O-N 2.64Å; Y1914-K1918 PolarHBondContact OH-NZ 2.84Å |
| 1919 | F | 82.3 | Confident | 74.8 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -119.9 | -54.8 | -175.9 | -58.9 | -72.3 | 0 | 0 | 0 | 112.9 | F1915 V1923 A1942 K1945 L1946 L1949 | F1915-F1919 AromaticContact CD2-CD2 3.56Å; F1915-F1919 HydrophobicContact CD2-CD2 3.56Å; F1915-F1919 HydrophobicContact CD2-CE2 4.17Å; F1915-F1919 HydrophobicContact CD2-CG 4.43Å; F1915-F1919 HydrophobicContact CE2-CB 4.39Å; F1915-F1919 AromaticContact CE2-CD2 3.83Å; F1915-F1919 HydrophobicContact CE2-CD2 3.83Å; F1915-F1919 HydrophobicContact CE2-CE2 4.48Å; F1915-F1919 HydrophobicContact CE2-CG 4.34Å; F1915-F1919 HydrophobicContact CG-CD2 4.28Å; F1915-F1919 WeakPolarHBondContact O-CB 3.46Å; F1915-F1919 PolarHBondContact O-N 3.06Å; F1919-V1923 WeakPolarHBondContact O-CB 3.47Å; F1919-V1923 VanDerWaalsContact O-CG2 3.25Å; F1919-V1923 WeakPolarHBondContact O-CG2 3.14Å; F1919-V1923 PolarHBondContact O-N 2.89Å; F1919-A1942 HydrophobicContact CD1-CB 4.45Å; F1919-A1942 VanDerWaalsContact CD1-O 3.3Å; F1919-A1942 WeakPolarHBondContact CD1-O 3.32Å; F1919-K1945 HydrophobicContact CE1-CB 4.24Å; F1919-K1945 HydrophobicContact CE1-CG 4.19Å; F1919-L1946 HydrophobicContact CD1-CB 3.85Å; F1919-L1946 HydrophobicContact CE1-CB 4Å; F1919-L1949 HydrophobicContact CZ-CD1 4.14Å |
| 1920 | A | 78.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -71.1 | -41.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | F1915 L1916 A1924 | F1915-A1920 PolarHBondContact O-N 2.95Å; L1916-A1920 HydrophobicContact CD2-CB 3.78Å; L1916-A1920 PolarHBondContact O-N 2.87Å; A1920-A1924 WeakPolarHBondContact O-CB 3.49Å; A1920-A1924 PolarHBondContact O-N 2.87Å; A1920-A1924 VanDerWaalsContact O-N 3.08Å |
| 1921 | R | 78.6 | Confident | 73.6 | Confident | 125 Ų | 125 | 56 Ų | 56 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -51.2 | 178.3 | -77.4 | -179.9 | -178.2 | 162.4 | 4.2 | 112.1 | D1268 L1916 V1923 A1924 S1925 | D1268-R1921 IonicContact OD1-NH1 3.81Å; D1268-R1921 IonicContact OD2-CZ 3.88Å; D1268-R1921 VanDerWaalsContact OD2-CZ 3.27Å; D1268-R1921 IonicContact OD2-NH1 3.63Å; D1268-R1921 PolarHBondContact OD2-NH1 3.15Å; D1268-R1921 IonicContact OD2-NH2 3.78Å; D1268-R1921 PolarHBondContact OD2-NH2 3.36Å; L1916-R1921 WeakPolarHBondContact O-CB 3.3Å; L1916-R1921 WeakPolarHBondContact O-CG 3.18Å; L1916-R1921 PolarHBondContact O-N 2.81Å; R1921-V1923 PolarHBondContact O-N 2.78Å; R1921-A1924 PolarHBondContact O-N 3.24Å; R1921-S1925 PolarHBondContact O-N 2.74Å; R1921-S1925 PolarHBondContact O-OG 3.4Å; R1921-S1925 VanDerWaalsContact O-OG 3.12Å |
| 1922 | P | 78.2 | Confident | 73.2 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.195 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.6 | -27 | 36 | 0 | 0 | 0 | 113.8 | A1917 A1924 S1925 S1926 G1939 A1942 | A1917-P1922 WeakPolarHBondContact O-CD 3.27Å; P1922-A1924 VanDerWaalsContact C-N 3.28Å; P1922-A1924 PolarHBondContact O-N 3.06Å; P1922-S1925 PolarHBondContact O-N 3.49Å; P1922-S1926 PolarHBondContact O-N 3.06Å; P1922-S1926 PolarHBondContact O-OG 3.18Å; P1922-G1939 WeakPolarHBondContact O-CA 3.33Å; P1922-A1942 HydrophobicContact CB-CB 4Å; P1922-A1942 HydrophobicContact CG-CB 4.47Å |
| 1923 | V | 73.3 | Confident | 72.7 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -29.5 | 178.6 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | F1919 R1921 S1926 R1927 A1942 L1943 | F1919-V1923 WeakPolarHBondContact O-CB 3.47Å; F1919-V1923 VanDerWaalsContact O-CG2 3.25Å; F1919-V1923 WeakPolarHBondContact O-CG2 3.14Å; F1919-V1923 PolarHBondContact O-N 2.89Å; R1921-V1923 PolarHBondContact O-N 2.78Å; V1923-S1926 PolarHBondContact O-OG 2.77Å; V1923-R1927 WeakPolarHBondContact O-CG 3.43Å; V1923-R1927 PolarHBondContact O-NE 3.47Å; V1923-A1942 HydrophobicContact CG2-CB 4.28Å; V1923-L1943 HydrophobicContact CG2-CB 4.13Å; V1923-L1943 HydrophobicContact CG2-CD1 4.5Å |
| 1924 | A | 71.2 | Confident | 72.2 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.2 | -46 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1920 R1921 P1922 S1926 R1927 Y2010 | A1920-A1924 WeakPolarHBondContact O-CB 3.49Å; A1920-A1924 PolarHBondContact O-N 2.87Å; A1920-A1924 VanDerWaalsContact O-N 3.08Å; R1921-A1924 PolarHBondContact O-N 3.24Å; P1922-A1924 VanDerWaalsContact C-N 3.28Å; P1922-A1924 PolarHBondContact O-N 3.06Å; A1924-S1926 VanDerWaalsContact C-N 3.32Å; A1924-S1926 PolarHBondContact O-N 2.87Å; A1924-R1927 PolarHBondContact O-N 3.33Å; A1924-Y2010 WeakPolarHBondContact CB-OH 3.42Å |
| 1925 | S | 71 | Confident | 72 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -33.4 | -179.2 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | R1921 P1922 R1927 D1928 | R1921-S1925 PolarHBondContact O-N 2.74Å; R1921-S1925 PolarHBondContact O-OG 3.4Å; R1921-S1925 VanDerWaalsContact O-OG 3.12Å; P1922-S1925 PolarHBondContact O-N 3.49Å; S1925-R1927 PolarHBondContact O-N 2.97Å; S1925-D1928 PolarHBondContact O-N 3.11Å |
| 1926 | S | 69.1 | Low | 71.3 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.1 | 177.4 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | P1922 V1923 A1924 | P1922-S1926 PolarHBondContact O-N 3.06Å; P1922-S1926 PolarHBondContact O-OG 3.18Å; V1923-S1926 PolarHBondContact O-OG 2.77Å; A1924-S1926 VanDerWaalsContact C-N 3.32Å; A1924-S1926 PolarHBondContact O-N 2.87Å |
| 1927 | R | 61.2 | Low | 70.7 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.3 | 179.3 | -64.3 | 176 | -169 | -159.5 | 0.6 | 113.6 | V1923 A1924 S1925 L2272 | V1923-R1927 WeakPolarHBondContact O-CG 3.43Å; V1923-R1927 PolarHBondContact O-NE 3.47Å; A1924-R1927 PolarHBondContact O-N 3.33Å; S1925-R1927 PolarHBondContact O-N 2.97Å; R1927-L2272 VanDerWaalsContact NH2-CD2 3.33Å |
| 1928 | D | 63.7 | Low | 70.5 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -70.5 | 127.8 | 176.1 | -170.8 | -36.9 | 0 | 0 | 0 | 110 | S1925 K1930 A1931 | S1925-D1928 PolarHBondContact O-N 3.11Å; D1928-K1930 PolarHBondContact O-N 2.9Å; D1928-K1930 PolarHBondContact OD1-N 2.9Å; D1928-A1931 HydrophobicContact CB-CB 4.28Å; D1928-A1931 WeakPolarHBondContact O-CB 3.36Å; D1928-A1931 PolarHBondContact O-N 2.78Å |
| 1929 | P | 59.1 | Low | 70.3 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.5 | 177.4 | 24.1 | -34.7 | 0 | 0 | 0 | 114 | ||
| 1930 | K | 67 | Low | 69.6 | Low | 190 Ų | 190 | 67.1 Ų | 67.1 | 83% | 0.826 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 6 | 175.5 | -63.8 | 177.6 | -178.7 | 172.1 | 0 | 113.9 | D1928 | D1928-K1930 PolarHBondContact O-N 2.9Å; D1928-K1930 PolarHBondContact OD1-N 2.9Å |
| 1931 | A | 66.3 | Low | 69.3 | Low | 15 Ų | 15 | 71.4 Ų | 71.4 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | trans | -54.8 | 140 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1928 D1935 Q1936 | D1928-A1931 HydrophobicContact CB-CB 4.28Å; D1928-A1931 WeakPolarHBondContact O-CB 3.36Å; D1928-A1931 PolarHBondContact O-N 2.78Å; A1931-D1935 HydrophobicContact CB-CB 4.37Å; A1931-Q1936 HydrophobicContact CB-CG 3.97Å; A1931-Q1936 PolarHBondContact O-NE2 3.02Å | ||
| 1932 | S | 69.6 | Low | 69.1 | Low | 53 Ų | 53 | 66 Ų | 66 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | trans | -69.8 | 161.4 | 175.3 | 81.4 | 0 | 0 | 0 | 0 | 111.2 | S1934 D1935 Q1936 | S1932-S1934 PolarHBondContact O-N 3.34Å; S1932-S1934 VanDerWaalsContact O-N 3.11Å; S1932-S1934 PolarHBondContact OG-N 3.29Å; S1932-D1935 VanDerWaalsContact CB-OD2 3.23Å; S1932-D1935 WeakPolarHBondContact CB-OD2 3.39Å; S1932-D1935 PolarHBondContact N-OD2 3.49Å; S1932-D1935 PolarHBondContact O-N 3.26Å; S1932-D1935 VanDerWaalsContact OG-CG 3.26Å; S1932-D1935 PolarHBondContact OG-N 2.95Å; S1932-D1935 PolarHBondContact OG-OD2 3.25Å; S1932-Q1936 VanDerWaalsContact O-CG 3.31Å; S1932-Q1936 WeakPolarHBondContact O-CG 3.37Å; S1932-Q1936 PolarHBondContact O-N 2.99Å | ||
| 1933 | K | 69.2 | Low | 68.8 | Low | 168 Ų | 168 | 65 Ų | 65 | 73% | 0.73 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.9 | -29.5 | 172.2 | -68.6 | -174.7 | 178.3 | -178.3 | 0 | 112.5 | Q1937 | K1933-Q1937 VanDerWaalsContact O-CG 3.28Å; K1933-Q1937 WeakPolarHBondContact O-CG 3.47Å; K1933-Q1937 PolarHBondContact O-N 3.09Å |
| 1934 | S | 66.6 | Low | 68.6 | Low | 60 Ų | 60 | 67 Ų | 67 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.7 | -41.4 | 177 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | S1932 Q1937 A1938 | S1932-S1934 PolarHBondContact O-N 3.34Å; S1932-S1934 VanDerWaalsContact O-N 3.11Å; S1932-S1934 PolarHBondContact OG-N 3.29Å; S1934-Q1937 PolarHBondContact O-N 3.21Å; S1934-A1938 WeakPolarHBondContact O-CB 3.07Å; S1934-A1938 PolarHBondContact O-N 2.88Å |
| 1935 | D | 71.9 | Confident | 68.8 | Low | 46 Ų | 46 | 69.2 Ų | 69.2 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.1 | -36.9 | -177.7 | -53.6 | -56.6 | 0 | 0 | 0 | 111.4 | A1931 S1932 A1938 G1939 | A1931-D1935 HydrophobicContact CB-CB 4.37Å; S1932-D1935 VanDerWaalsContact CB-OD2 3.23Å; S1932-D1935 WeakPolarHBondContact CB-OD2 3.39Å; S1932-D1935 PolarHBondContact N-OD2 3.49Å; S1932-D1935 PolarHBondContact O-N 3.26Å; S1932-D1935 VanDerWaalsContact OG-CG 3.26Å; S1932-D1935 PolarHBondContact OG-N 2.95Å; S1932-D1935 PolarHBondContact OG-OD2 3.25Å; D1935-A1938 PolarHBondContact O-N 2.87Å; D1935-G1939 PolarHBondContact O-N 2.97Å |
| 1936 | Q | 67.8 | Low | 69.2 | Low | 22 Ų | 22 | 66.2 Ų | 66.2 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.2 | -50.5 | 171.8 | -66.6 | 165.5 | 21.5 | 0 | 0 | 111 | N17 S19 A1931 S1932 A1938 G1939 Q1940 | N17-Q1936 VanDerWaalsContact CG-NE2 3.31Å; N17-Q1936 PolarHBondContact ND2-NE2 3.14Å; N17-Q1936 VanDerWaalsContact OD1-CD 3.26Å; N17-Q1936 PolarHBondContact OD1-NE2 2.96Å; N17-Q1936 PolarHBondContact OD1-OE1 3.48Å; S19-Q1936 PolarHBondContact OG-OE1 2.86Å; A1931-Q1936 HydrophobicContact CB-CG 3.97Å; A1931-Q1936 PolarHBondContact O-NE2 3.02Å; S1932-Q1936 VanDerWaalsContact O-CG 3.31Å; S1932-Q1936 WeakPolarHBondContact O-CG 3.37Å; S1932-Q1936 PolarHBondContact O-N 2.99Å; Q1936-A1938 PolarHBondContact O-N 2.8Å; Q1936-G1939 PolarHBondContact O-N 2.87Å; Q1936-Q1940 PolarHBondContact O-N 3.39Å |
| 1937 | Q | 71 | Confident | 69.5 | Low | 125 Ų | 125 | 65.9 Ų | 65.9 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 177 | -73.4 | 176.1 | -10.5 | 0 | 0 | 112.3 | K1933 S1934 Q1940 L1941 | K1933-Q1937 VanDerWaalsContact O-CG 3.28Å; K1933-Q1937 WeakPolarHBondContact O-CG 3.47Å; K1933-Q1937 PolarHBondContact O-N 3.09Å; S1934-Q1937 PolarHBondContact O-N 3.21Å; Q1937-Q1940 PolarHBondContact O-N 3.28Å; Q1937-L1941 WeakPolarHBondContact O-CB 3.47Å; Q1937-L1941 VanDerWaalsContact O-CG 3.28Å; Q1937-L1941 WeakPolarHBondContact O-CG 3.24Å; Q1937-L1941 PolarHBondContact O-N 3.2Å |
| 1938 | A | 69.5 | Low | 70.1 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1934 D1935 Q1936 A1942 | S1934-A1938 WeakPolarHBondContact O-CB 3.07Å; S1934-A1938 PolarHBondContact O-N 2.88Å; D1935-A1938 PolarHBondContact O-N 2.87Å; Q1936-A1938 PolarHBondContact O-N 2.8Å; A1938-A1942 WeakPolarHBondContact O-CB 3.29Å; A1938-A1942 PolarHBondContact O-N 3.11Å |
| 1939 | G | 70.9 | Confident | 70.9 | Confident | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1922 D1935 Q1936 A1942 L1943 | P1922-G1939 WeakPolarHBondContact O-CA 3.33Å; D1935-G1939 PolarHBondContact O-N 2.97Å; Q1936-G1939 PolarHBondContact O-N 2.87Å; G1939-A1942 PolarHBondContact O-N 2.87Å; G1939-L1943 PolarHBondContact O-N 2.88Å; G1939-L1943 VanDerWaalsContact O-N 3.09Å |
| 1940 | Q | 67.7 | Low | 72.1 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 175.4 | -176.9 | 177.6 | -12.5 | 0 | 0 | 111.7 | Q1936 Q1937 A1942 L1943 E1944 | Q1936-Q1940 PolarHBondContact O-N 3.39Å; Q1937-Q1940 PolarHBondContact O-N 3.28Å; Q1940-A1942 VanDerWaalsContact C-N 3.28Å; Q1940-A1942 PolarHBondContact O-N 2.95Å; Q1940-L1943 PolarHBondContact O-N 3.26Å; Q1940-E1944 PolarHBondContact NE2-OE1 3.25Å; Q1940-E1944 PolarHBondContact O-N 2.97Å |
| 1941 | L | 71.8 | Confident | 72.6 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 59% | 0.586 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.7 | -36.2 | 177.9 | -72.5 | 170.7 | 0 | 0 | 0 | 112.6 | Q1937 K1945 | Q1937-L1941 WeakPolarHBondContact O-CB 3.47Å; Q1937-L1941 VanDerWaalsContact O-CG 3.28Å; Q1937-L1941 WeakPolarHBondContact O-CG 3.24Å; Q1937-L1941 PolarHBondContact O-N 3.2Å; L1941-K1945 VanDerWaalsContact O-CB 3.28Å; L1941-K1945 WeakPolarHBondContact O-CB 3.15Å; L1941-K1945 PolarHBondContact O-N 3.49Å; L1941-K1945 VanDerWaalsContact O-N 3.13Å |
| 1942 | A | 75.8 | Confident | 73.1 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1919 P1922 V1923 A1938 G1939 Q1940 K1945 L1946 | F1919-A1942 HydrophobicContact CD1-CB 4.45Å; F1919-A1942 VanDerWaalsContact CD1-O 3.3Å; F1919-A1942 WeakPolarHBondContact CD1-O 3.32Å; P1922-A1942 HydrophobicContact CB-CB 4Å; P1922-A1942 HydrophobicContact CG-CB 4.47Å; V1923-A1942 HydrophobicContact CG2-CB 4.28Å; A1938-A1942 WeakPolarHBondContact O-CB 3.29Å; A1938-A1942 PolarHBondContact O-N 3.11Å; G1939-A1942 PolarHBondContact O-N 2.87Å; Q1940-A1942 VanDerWaalsContact C-N 3.28Å; Q1940-A1942 PolarHBondContact O-N 2.95Å; A1942-K1945 PolarHBondContact O-N 2.92Å; A1942-L1946 PolarHBondContact O-N 3.42Å |
| 1943 | L | 71.2 | Confident | 73.9 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 178.3 | -175.3 | 82.2 | 0 | 0 | 0 | 112.4 | V1923 G1939 Q1940 K1945 L1946 H1947 N2269 L2272 | V1923-L1943 HydrophobicContact CG2-CB 4.13Å; V1923-L1943 HydrophobicContact CG2-CD1 4.5Å; G1939-L1943 PolarHBondContact O-N 2.88Å; G1939-L1943 VanDerWaalsContact O-N 3.09Å; Q1940-L1943 PolarHBondContact O-N 3.26Å; L1943-K1945 PolarHBondContact O-N 3.42Å; L1943-L1946 WeakPolarHBondContact O-CB 3.48Å; L1943-L1946 PolarHBondContact O-N 3.3Å; L1943-H1947 PolarHBondContact O-CD2 2.92Å; L1943-H1947 VanDerWaalsContact O-CD2 3.28Å; L1943-H1947 PolarHBondContact O-N 3.49Å; L1943-N2269 HydrophobicContact CD2-CB 3.86Å; L1943-N2269 VanDerWaalsContact CD2-CG 3.45Å; L1943-N2269 WeakPolarHBondContact CD2-OD1 3.42Å; L1943-L2272 HydrophobicContact CD1-CD1 4.07Å; L1943-L2272 HydrophobicContact CD2-CD1 3.13Å; L1943-L2272 HydrophobicContact CG-CD1 4.22Å |
| 1944 | E | 69.8 | Low | 74.7 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.2 | -41.3 | 176.8 | -74.7 | -176 | -152.5 | 0 | 0 | 111.5 | Q1940 H1947 R1948 | Q1940-E1944 PolarHBondContact NE2-OE1 3.25Å; Q1940-E1944 PolarHBondContact O-N 2.97Å; E1944-H1947 PolarHBondContact O-N 3.48Å; E1944-R1948 VanDerWaalsContact O-CG 3.31Å; E1944-R1948 WeakPolarHBondContact O-CG 3.12Å; E1944-R1948 PolarHBondContact O-N 2.93Å; E1944-R1948 VanDerWaalsContact O-N 3.11Å; E1944-R1948 IonicContact OE2-NH2 2.63Å; E1944-R1948 PolarHBondContact OE2-NH2 3.43Å; E1944-R1948 VanDerWaalsContact OE2-NH2 3.16Å |
| 1945 | K | 74.2 | Confident | 75.6 | Confident | 80 Ų | 80 | 44 Ų | 44 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.4 | -172.9 | 166.1 | -172.2 | 159.3 | 0 | 112.7 | N1654 F1919 L1941 A1942 L1943 L1949 | N1654-K1945 WeakPolarHBondContact OD1-CE 3.09Å; F1919-K1945 HydrophobicContact CE1-CB 4.24Å; F1919-K1945 HydrophobicContact CE1-CG 4.19Å; L1941-K1945 VanDerWaalsContact O-CB 3.28Å; L1941-K1945 WeakPolarHBondContact O-CB 3.15Å; L1941-K1945 PolarHBondContact O-N 3.49Å; L1941-K1945 VanDerWaalsContact O-N 3.13Å; A1942-K1945 PolarHBondContact O-N 2.92Å; L1943-K1945 PolarHBondContact O-N 3.42Å; K1945-L1949 WeakPolarHBondContact O-CG 3.33Å; K1945-L1949 PolarHBondContact O-N 3.25Å |
| 1946 | L | 80.9 | Confident | 76 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 175.4 | -179 | 59.5 | 0 | 0 | 0 | 111.7 | V1894 L1897 L1909 F1915 F1919 A1942 L1943 R1948 L1949 V1950 | V1894-L1946 HydrophobicContact CG1-CD2 3.44Å; V1894-L1946 VanDerWaalsContact CG1-CD2 3.44Å; L1897-L1946 HydrophobicContact CD2-CD2 4.37Å; L1897-L1946 HydrophobicContact CD2-CG 4.47Å; L1909-L1946 HydrophobicContact CD2-CD1 4.3Å; F1915-L1946 HydrophobicContact CE2-CD1 3.74Å; F1915-L1946 HydrophobicContact CE2-CD2 4.4Å; F1915-L1946 HydrophobicContact CZ-CD1 4.26Å; F1915-L1946 HydrophobicContact CZ-CD2 4.16Å; F1919-L1946 HydrophobicContact CD1-CB 3.85Å; F1919-L1946 HydrophobicContact CE1-CB 4Å; A1942-L1946 PolarHBondContact O-N 3.42Å; L1943-L1946 WeakPolarHBondContact O-CB 3.48Å; L1943-L1946 PolarHBondContact O-N 3.3Å; L1946-R1948 PolarHBondContact O-N 3.1Å; L1946-L1949 PolarHBondContact O-N 3.14Å; L1946-V1950 HydrophobicContact CD1-CG2 4.07Å; L1946-V1950 WeakPolarHBondContact O-CB 3.49Å; L1946-V1950 WeakPolarHBondContact O-CG2 3.13Å; L1946-V1950 PolarHBondContact O-N 3.4Å |
| 1947 | H | 74.3 | Confident | 76.7 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.06 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | -179.8 | -77.8 | -136.4 | 0 | 0 | 0 | 111.1 | L1943 E1944 L1949 V1950 L1951 V2264 N2269 | L1943-H1947 PolarHBondContact O-CD2 2.92Å; L1943-H1947 VanDerWaalsContact O-CD2 3.28Å; L1943-H1947 PolarHBondContact O-N 3.49Å; E1944-H1947 PolarHBondContact O-N 3.48Å; H1947-L1949 VanDerWaalsContact C-N 3.25Å; H1947-L1949 PolarHBondContact O-N 2.02Å; H1947-V1950 PolarHBondContact O-N 2.91Å; H1947-V1950 VanDerWaalsContact O-N 3.11Å; H1947-L1951 HydrophobicContact CB-CD1 4.16Å; H1947-L1951 WeakPolarHBondContact O-CB 3.08Å; H1947-L1951 VanDerWaalsContact O-CG 3.29Å; H1947-L1951 WeakPolarHBondContact O-CG 3.19Å; H1947-L1951 PolarHBondContact O-N 3.45Å; H1947-V2264 PolarHBondContact CE1-O 3.13Å; H1947-V2264 VanDerWaalsContact CE1-O 3.24Å; H1947-V2264 PolarHBondContact NE2-O 2.83Å; H1947-N2269 PolarHBondContact CE1-OD1 2.88Å; H1947-N2269 PolarHBondContact ND1-OD1 2.8Å; H1947-N2269 VanDerWaalsContact ND1-OD1 3.15Å |
| 1948 | R | 73.1 | Confident | 76.9 | Confident | 140 Ų | 140 | 42.6 Ų | 42.6 | 53% | 0.528 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.5 | -31.6 | 176 | -70.3 | 176.6 | -161 | -178.6 | 10.9 | 113.8 | E1944 L1946 | E1944-R1948 VanDerWaalsContact O-CG 3.31Å; E1944-R1948 WeakPolarHBondContact O-CG 3.12Å; E1944-R1948 PolarHBondContact O-N 2.93Å; E1944-R1948 VanDerWaalsContact O-N 3.11Å; E1944-R1948 IonicContact OE2-NH2 2.63Å; E1944-R1948 PolarHBondContact OE2-NH2 3.43Å; E1944-R1948 VanDerWaalsContact OE2-NH2 3.16Å; L1946-R1948 PolarHBondContact O-N 3.1Å |
| 1949 | L | 81.6 | Confident | 77 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.1 | -28.4 | 176.8 | -77 | 173.8 | 0 | 0 | 0 | 113.4 | A1650 L1653 N1654 F1908 L1909 F1919 K1945 L1946 H1947 F1953 | A1650-L1949 HydrophobicContact CB-CD2 4.1Å; L1653-L1949 HydrophobicContact CB-CD2 4.48Å; L1653-L1949 HydrophobicContact CD2-CD2 4.08Å; N1654-L1949 WeakPolarHBondContact ND2-CD2 3.44Å; F1908-L1949 HydrophobicContact CE1-CB 4.32Å; F1908-L1949 WeakPolarHBondContact CE1-O 3.03Å; F1908-L1949 HydrophobicContact CE2-CD2 4.47Å; F1908-L1949 HydrophobicContact CZ-CB 4.27Å; F1908-L1949 HydrophobicContact CZ-CD2 4.02Å; F1908-L1949 VanDerWaalsContact CZ-O 3.29Å; F1908-L1949 WeakPolarHBondContact CZ-O 3.13Å; L1909-L1949 HydrophobicContact CD2-CB 4.34Å; L1909-L1949 HydrophobicContact CD2-CD1 4.15Å; F1919-L1949 HydrophobicContact CZ-CD1 4.14Å; K1945-L1949 WeakPolarHBondContact O-CG 3.33Å; K1945-L1949 PolarHBondContact O-N 3.25Å; L1946-L1949 PolarHBondContact O-N 3.14Å; H1947-L1949 VanDerWaalsContact C-N 3.25Å; H1947-L1949 PolarHBondContact O-N 2.02Å; L1949-F1953 WeakPolarHBondContact O-CE2 3.12Å |
| 1950 | V | 83 | Confident | 76.9 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -101.3 | -41.7 | -165.7 | 160.7 | 0 | 0 | 0 | 0 | 112.9 | L1897 F1901 L1946 H1947 P1952 F1953 M1954 | L1897-V1950 HydrophobicContact CD1-CG1 4.08Å; L1897-V1950 HydrophobicContact CD2-CG1 4.13Å; L1897-V1950 HydrophobicContact CD2-CG2 3.99Å; L1897-V1950 HydrophobicContact CG-CG1 4.48Å; L1897-V1950 HydrophobicContact CG-CG2 4.42Å; F1901-V1950 HydrophobicContact CD2-CG2 4.38Å; F1901-V1950 HydrophobicContact CE1-CG2 4.46Å; F1901-V1950 HydrophobicContact CE2-CB 4.3Å; F1901-V1950 HydrophobicContact CE2-CG1 3.71Å; F1901-V1950 HydrophobicContact CE2-CG2 3.97Å; F1901-V1950 HydrophobicContact CZ-CB 4.11Å; F1901-V1950 HydrophobicContact CZ-CG1 3.78Å; F1901-V1950 HydrophobicContact CZ-CG2 4.01Å; L1946-V1950 HydrophobicContact CD1-CG2 4.07Å; L1946-V1950 WeakPolarHBondContact O-CB 3.49Å; L1946-V1950 WeakPolarHBondContact O-CG2 3.13Å; L1946-V1950 PolarHBondContact O-N 3.4Å; H1947-V1950 PolarHBondContact O-N 2.91Å; H1947-V1950 VanDerWaalsContact O-N 3.11Å; V1950-P1952 VanDerWaalsContact C-CD 3.42Å; V1950-F1953 PolarHBondContact O-N 3.34Å; V1950-F1953 VanDerWaalsContact O-N 3.12Å; V1950-M1954 HydrophobicContact CG1-CG 4.21Å; V1950-M1954 HydrophobicContact CG1-SD 3.31Å; V1950-M1954 WeakPolarHBondContact CG1-SD 3.35Å |
| 1951 | L | 77.7 | Confident | 76.9 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 40% | 0.398 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -54.5 | -40 | -172.2 | -73 | 168.4 | 0 | 0 | 0 | 114.9 | H1947 F1953 M1954 | H1947-L1951 HydrophobicContact CB-CD1 4.16Å; H1947-L1951 WeakPolarHBondContact O-CB 3.08Å; H1947-L1951 VanDerWaalsContact O-CG 3.29Å; H1947-L1951 WeakPolarHBondContact O-CG 3.19Å; H1947-L1951 PolarHBondContact O-N 3.45Å; L1951-F1953 PolarHBondContact O-N 3.2Å; L1951-M1954 PolarHBondContact O-N 3Å |
| 1952 | P | 78.2 | Confident | 76.8 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -60.7 | -18.6 | -179.8 | -25 | 35.7 | 0 | 0 | 0 | 115 | L1686 V1950 | L1686-P1952 HydrophobicContact CD1-CB 3.89Å; L1686-P1952 HydrophobicContact CG-CB 4.01Å; V1950-P1952 VanDerWaalsContact C-CD 3.42Å |
| 1953 | F | 86 | Confident | 76 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -105.5 | 8.4 | -178.1 | -47.6 | -73.9 | 0 | 0 | 0 | 112.8 | F1649 L1653 L1686 L1724 G1726 V1727 F1901 M1905 F1908 L1949 V1950 L1951 | F1649-F1953 HydrophobicContact CE1-CE1 4.09Å; F1649-F1953 HydrophobicContact CE1-CE2 4.36Å; F1649-F1953 AromaticContact CE1-CZ 3.5Å; F1649-F1953 HydrophobicContact CE1-CZ 3.5Å; F1649-F1953 HydrophobicContact CZ-CE1 4.19Å; F1649-F1953 AromaticContact CZ-CZ 3.7Å; F1649-F1953 HydrophobicContact CZ-CZ 3.7Å; L1653-F1953 HydrophobicContact CD2-CE2 3.92Å; L1653-F1953 HydrophobicContact CD2-CZ 4.27Å; L1686-F1953 HydrophobicContact CD1-CE1 4.32Å; L1724-F1953 HydrophobicContact CD1-CE1 4.28Å; L1724-F1953 HydrophobicContact CD2-CE1 3.97Å; G1726-F1953 CarbonylContact C-O 3.55Å; G1726-F1953 VanDerWaalsContact CA-O 3.31Å; G1726-F1953 WeakPolarHBondContact CA-O 3.4Å; V1727-F1953 PolarHBondContact N-O 3.16Å; F1901-F1953 HydrophobicContact CE1-CB 4Å; F1901-F1953 AromaticContact CE1-CD2 3.96Å; F1901-F1953 HydrophobicContact CE1-CD2 3.96Å; F1901-F1953 HydrophobicContact CE1-CG 4.26Å; F1901-F1953 HydrophobicContact CZ-CB 4.06Å; M1905-F1953 HydrophobicContact CE-CD1 4.01Å; M1905-F1953 HydrophobicContact CE-CD2 3.81Å; M1905-F1953 HydrophobicContact CE-CE1 4.14Å; M1905-F1953 HydrophobicContact CE-CE2 3.93Å; M1905-F1953 HydrophobicContact CE-CG 3.86Å; M1905-F1953 HydrophobicContact CE-CZ 4.11Å; M1905-F1953 HydrophobicContact SD-CE1 4.48Å; F1908-F1953 HydrophobicContact CE1-CE2 4.36Å; F1908-F1953 AromaticContact CZ-CE2 3.86Å; F1908-F1953 HydrophobicContact CZ-CE2 3.86Å; L1949-F1953 WeakPolarHBondContact O-CE2 3.12Å; V1950-F1953 PolarHBondContact O-N 3.34Å; V1950-F1953 VanDerWaalsContact O-N 3.12Å; L1951-F1953 PolarHBondContact O-N 3.2Å |
| 1954 | M | 85.4 | Confident | 75.7 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 105.9 | -177.1 | -70.6 | -173.6 | 42.7 | 0 | 0 | 111.8 | V1727 P1889 L1897 F1901 V1950 L1951 L2265 | V1727-M1954 HydrophobicContact CB-CG 4.09Å; V1727-M1954 HydrophobicContact CG2-CG 4.12Å; P1889-M1954 HydrophobicContact CB-CE 3.86Å; P1889-M1954 HydrophobicContact CG-CE 3.79Å; L1897-M1954 HydrophobicContact CD1-SD 3.99Å; F1901-M1954 HydrophobicContact CE2-CG 4.45Å; F1901-M1954 HydrophobicContact CE2-SD 4.06Å; F1901-M1954 HydrophobicContact CZ-CG 4.33Å; F1901-M1954 HydrophobicContact CZ-SD 4.43Å; V1950-M1954 HydrophobicContact CG1-CG 4.21Å; V1950-M1954 HydrophobicContact CG1-SD 3.31Å; V1950-M1954 WeakPolarHBondContact CG1-SD 3.35Å; L1951-M1954 PolarHBondContact O-N 3Å; M1954-L2265 HydrophobicContact CE-CD2 3.59Å |
| 1955 | L | 85.4 | Confident | 75.4 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 107.4 | 173.9 | -175.3 | 63.9 | 0 | 0 | 0 | 109.9 | W1715 V1727 L1728 C1729 | W1715-L1955 HydrophobicContact CB-CD2 4.1Å; W1715-L1955 HydrophobicContact CD2-CB 3.91Å; W1715-L1955 HydrophobicContact CD2-CD2 3.93Å; W1715-L1955 HydrophobicContact CD2-CG 4.47Å; W1715-L1955 HydrophobicContact CE3-CB 3.85Å; W1715-L1955 HydrophobicContact CE3-CD2 3.87Å; W1715-L1955 HydrophobicContact CG-CD2 4.05Å; W1715-L1955 HydrophobicContact CH2-CB 3.84Å; W1715-L1955 HydrophobicContact CZ2-CB 3.91Å; W1715-L1955 HydrophobicContact CZ3-CB 3.82Å; V1727-L1955 PolarHBondContact O-N 3.04Å; V1727-L1955 VanDerWaalsContact O-N 3.13Å; L1728-L1955 HydrophobicContact CD1-CB 4.3Å; L1728-L1955 HydrophobicContact CD1-CD2 3.95Å; L1728-L1955 HydrophobicContact CD1-CG 4.4Å; C1729-L1955 CarbonylContact C-O 3.14Å; C1729-L1955 VanDerWaalsContact CA-O 3.26Å; C1729-L1955 WeakPolarHBondContact CA-O 3.34Å; C1729-L1955 VanDerWaalsContact CB-O 3.3Å; C1729-L1955 WeakPolarHBondContact CB-O 3.29Å; C1729-L1955 PolarHBondContact N-O 3.19Å |
| 1956 | R | 81.7 | Confident | 75.2 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | trans | -113.4 | 130.8 | 176.6 | -173.3 | -178.7 | -172.6 | -164 | 1.7 | 110.3 | C1729 N2262 L2265 | C1729-R1956 HydrophobicContact CB-CB 3.85Å; C1729-R1956 HydrophobicContact CB-CG 4.19Å; R1956-N2262 PolarHBondContact NH2-OD1 2.82Å; R1956-L2265 VanDerWaalsContact NH1-CB 3.32Å | ||
| 1957 | R | 81.2 | Confident | 74.7 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | trans | -140.7 | 134 | 176.8 | -66.7 | 175.9 | -68.3 | -164.2 | 5.6 | 110 | Y1708 D1730 D1731 L1734 V1962 | Y1708-R1957 PolarHBondContact O-NH1 3.32Å; Y1708-R1957 PolarHBondContact O-NH2 3.49Å; D1730-R1957 VanDerWaalsContact CG-NH2 3.27Å; D1730-R1957 IonicContact OD1-CZ 2.74Å; D1730-R1957 VanDerWaalsContact OD1-CZ 3.26Å; D1730-R1957 IonicContact OD1-NE 3.44Å; D1730-R1957 PolarHBondContact OD1-NE 3.02Å; D1730-R1957 IonicContact OD1-NH2 3.67Å; D1730-R1957 PolarHBondContact OD1-NH2 3.04Å; D1730-R1957 IonicContact OD2-CZ 3.9Å; D1730-R1957 IonicContact OD2-NH2 2.69Å; D1730-R1957 PolarHBondContact OD2-NH2 3.49Å; D1731-R1957 PolarHBondContact N-O 2.95Å; D1731-R1957 VanDerWaalsContact N-O 3.08Å; L1734-R1957 HydrophobicContact CD1-CB 4.12Å; L1734-R1957 WeakPolarHBondContact CD1-O 3.47Å; R1957-V1962 HydrophobicContact CB-CG2 4.25Å | ||
| 1958 | L | 75.1 | Confident | 74.7 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | trans | -87 | 161.4 | 177.6 | -51.9 | 176.5 | 0 | 0 | 0 | 110.5 | E1960 D1961 V1962 | L1958-E1960 VanDerWaalsContact C-N 3.34Å; L1958-D1961 VanDerWaalsContact CB-OD2 3.3Å; L1958-D1961 WeakPolarHBondContact CB-OD2 3.44Å; L1958-D1961 WeakPolarHBondContact CG-OD2 3.2Å; L1958-V1962 WeakPolarHBondContact O-CG2 3.32Å | ||
| 1959 | K | 73 | Confident | 75 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -66.2 | -39.4 | 172.6 | -73.7 | 168.8 | -172.7 | 174 | 0 | 111.8 | D1731 L1732 L1734 V1962 M1963 D2224 | D1731-K1959 HydrophobicContact CB-CG 4.19Å; D1731-K1959 WeakPolarHBondContact OD2-CD 3.27Å; D1731-K1959 WeakPolarHBondContact OD2-CE 3.25Å; D1731-K1959 WeakPolarHBondContact OD2-CG 3.2Å; D1731-K1959 IonicContact OD2-NZ 3.07Å; L1732-K1959 WeakPolarHBondContact O-CE 3.3Å; L1732-K1959 PolarHBondContact O-NZ 3Å; L1734-K1959 HydrophobicContact CD2-CG 4.29Å; K1959-V1962 PolarHBondContact O-N 3.29Å; K1959-M1963 HydrophobicContact CB-CE 4.01Å; K1959-M1963 HydrophobicContact CD-CE 4.35Å; K1959-M1963 HydrophobicContact CG-CE 3.8Å; K1959-M1963 PolarHBondContact O-N 3.08Å; K1959-D2224 IonicContact NZ-OD1 3.65Å; K1959-D2224 PolarHBondContact NZ-OD1 2.8Å; K1959-D2224 IonicContact NZ-OD2 2.8Å; K1959-D2224 PolarHBondContact NZ-OD2 2.83Å |
| 1960 | E | 68 | Low | 75.1 | Confident | 148 Ų | 148 | 54.4 Ų | 54.4 | 69% | 0.692 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -43.4 | -177.1 | -69.1 | 153.4 | -138 | 0 | 0 | 112.1 | L1958 V1962 | L1958-E1960 VanDerWaalsContact C-N 3.34Å; E1960-V1962 PolarHBondContact O-N 3.07Å |
| 1961 | D | 68.6 | Low | 75.2 | Confident | 121 Ų | 121 | 54.9 Ų | 54.9 | 65% | 0.647 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.4 | 178.9 | -52.4 | -40.7 | 0 | 0 | 0 | 113.6 | L1958 | L1958-D1961 VanDerWaalsContact CB-OD2 3.3Å; L1958-D1961 WeakPolarHBondContact CB-OD2 3.44Å; L1958-D1961 WeakPolarHBondContact CG-OD2 3.2Å |
| 1962 | V | 68.4 | Low | 75.5 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | -31.9 | -158.5 | 175.1 | 0 | 0 | 0 | 0 | 114.3 | Y1708 L1734 R1957 L1958 K1959 E1960 | Y1708-V1962 HydrophobicContact CD1-CG1 3.07Å; Y1708-V1962 HydrophobicContact CD2-CG1 3.91Å; Y1708-V1962 HydrophobicContact CE1-CG1 3.58Å; Y1708-V1962 HydrophobicContact CE2-CG1 4.37Å; Y1708-V1962 HydrophobicContact CG-CG1 3.25Å; L1734-V1962 HydrophobicContact CD2-CB 4.5Å; L1734-V1962 HydrophobicContact CD2-CG1 4.2Å; R1957-V1962 HydrophobicContact CB-CG2 4.25Å; L1958-V1962 WeakPolarHBondContact O-CG2 3.32Å; K1959-V1962 PolarHBondContact O-N 3.29Å; E1960-V1962 PolarHBondContact O-N 3.07Å |
| 1963 | M | 60.2 | Low | 75.9 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | trans | -122.5 | 92.7 | -171.7 | -64.8 | -166.2 | -49.6 | 0 | 0 | 112.5 | Y1708 L1734 K1959 D1965 L1966 I2229 | Y1708-M1963 HydrophobicContact CE1-CG 4.4Å; L1734-M1963 HydrophobicContact CD2-CE 4.1Å; L1734-M1963 HydrophobicContact CD2-CG 4.01Å; L1734-M1963 HydrophobicContact CD2-SD 3.86Å; K1959-M1963 HydrophobicContact CB-CE 4.01Å; K1959-M1963 HydrophobicContact CD-CE 4.35Å; K1959-M1963 HydrophobicContact CG-CE 3.8Å; K1959-M1963 PolarHBondContact O-N 3.08Å; M1963-D1965 VanDerWaalsContact C-N 3.28Å; M1963-D1965 PolarHBondContact O-N 3.31Å; M1963-L1966 HydrophobicContact CE-CB 4.3Å; M1963-L1966 HydrophobicContact CE-CD2 3.64Å; M1963-I2229 HydrophobicContact SD-CD1 4.35Å; M1963-I2229 HydrophobicContact SD-CG1 3.93Å | ||
| 1964 | Q | 63.3 | Low | 76 | Confident | 197 Ų | 197 | 58 Ų | 58 | 92% | 0.921 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -19.9 | 171.5 | -62.7 | 176.9 | -2.4 | 0 | 0 | 113 | L1966 | Q1964-L1966 PolarHBondContact O-N 2.65Š|
| 1965 | D | 64.7 | Low | 76 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -13.8 | -176.2 | -64.5 | -24.1 | 0 | 0 | 0 | 114.9 | M1963 | M1963-D1965 VanDerWaalsContact C-N 3.28Å; M1963-D1965 PolarHBondContact O-N 3.31Å |
| 1966 | L | 69.8 | Low | 76 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -97.3 | 123.3 | -170.6 | -162.1 | 72.6 | 0 | 0 | 0 | 109.9 | M1963 Q1964 H2227 Q2231 | M1963-L1966 HydrophobicContact CE-CB 4.3Å; M1963-L1966 HydrophobicContact CE-CD2 3.64Å; Q1964-L1966 PolarHBondContact O-N 2.65Å; L1966-H2227 WeakPolarHBondContact CD2-CE1 3.49Å; L1966-H2227 WeakPolarHBondContact CD2-NE2 3.4Å; L1966-Q2231 HydrophobicContact CD1-CB 4.1Å |
| 1967 | P | 70.8 | Confident | 76.2 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 154.5 | 177.4 | 27.7 | -35.4 | 0 | 0 | 0 | 110.8 | H2227 Q2231 R2233 | P1967-H2227 PolarHBondContact O-NE2 2.85Å; P1967-Q2231 HydrophobicContact CG-CG 4.28Å; P1967-R2233 WeakPolarHBondContact CG-O 3.37Å |
| 1968 | P | 72.9 | Confident | 76.4 | Confident | 66 Ų | 66 | 62 Ų | 62 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 154.6 | -175.1 | 22 | -31.1 | 0 | 0 | 0 | 112.6 | I1970 T2234 V2235 | P1968-I1970 HydrophobicContact CB-CD1 3.92Å; P1968-I1970 HydrophobicContact CG-CD1 4.19Å; P1968-T2234 HydrophobicContact CG-CG2 4.23Å; P1968-T2234 WeakPolarHBondContact O-CG2 3.43Å; P1968-V2235 PolarHBondContact O-N 2.74Å |
| 1969 | K | 80.4 | Confident | 77 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.6 | 170.8 | 172.9 | -177.4 | 71.7 | -152.5 | 0 | 107.8 | M2223 D2224 H2227 V2237 Y2316 | K1969-M2223 HydrophobicContact CD-CB 4.34Å; K1969-D2224 IonicContact NZ-OD1 2.85Å; K1969-D2224 PolarHBondContact NZ-OD1 3.03Å; K1969-H2227 HydrophobicContact CB-CB 4.37Å; K1969-H2227 HydrophobicContact CD-CB 3.89Å; K1969-H2227 HydrophobicContact CG-CB 4.41Å; K1969-V2237 HydrophobicContact CD-CG2 4.36Å; K1969-V2237 HydrophobicContact CG-CG2 4Å; K1969-Y2316 WeakPolarHBondContact CE-OH 3.28Å |
| 1970 | I | 83.4 | Confident | 77.5 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.8 | -174.6 | -54.5 | 95.4 | 0 | 0 | 0 | 110.6 | P1968 Q1972 T2234 V2235 V2237 Y2312 E2315 | P1968-I1970 HydrophobicContact CB-CD1 3.92Å; P1968-I1970 HydrophobicContact CG-CD1 4.19Å; I1970-Q1972 HydrophobicContact CG2-CG 4.47Å; I1970-T2234 HydrophobicContact CD1-CG2 3.35Å; I1970-V2235 PolarHBondContact N-O 3.38Å; I1970-V2237 WeakPolarHBondContact O-CA 3.16Å; I1970-V2237 WeakPolarHBondContact O-CB 3.41Å; I1970-V2237 WeakPolarHBondContact O-CG2 3.37Å; I1970-V2237 PolarHBondContact O-N 2.93Å; I1970-Y2312 HydrophobicContact CB-CD1 3.54Å; I1970-Y2312 HydrophobicContact CB-CD2 4.39Å; I1970-Y2312 HydrophobicContact CB-CE1 3.52Å; I1970-Y2312 HydrophobicContact CB-CE2 4.4Å; I1970-Y2312 HydrophobicContact CB-CG 3.9Å; I1970-Y2312 HydrophobicContact CD1-CD1 3.3Å; I1970-Y2312 HydrophobicContact CD1-CE1 3.65Å; I1970-Y2312 HydrophobicContact CD1-CG 4.2Å; I1970-Y2312 HydrophobicContact CG1-CD1 3.23Å; I1970-Y2312 HydrophobicContact CG1-CE1 3.71Å; I1970-Y2312 HydrophobicContact CG1-CG 3.65Å; I1970-Y2312 HydrophobicContact CG2-CD1 3.66Å; I1970-Y2312 HydrophobicContact CG2-CD2 3.58Å; I1970-Y2312 HydrophobicContact CG2-CE1 3.73Å; I1970-Y2312 HydrophobicContact CG2-CE2 3.69Å; I1970-Y2312 HydrophobicContact CG2-CG 3.47Å; I1970-Y2312 VanDerWaalsContact CG2-CG 3.47Å; I1970-E2315 WeakPolarHBondContact CG2-OE2 3.35Å |
| 1971 | I | 84.2 | Confident | 78.3 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 84.7 | -165.3 | -50.4 | 179.9 | 0 | 0 | 0 | 109.6 | M2223 V2237 R2239 E2315 Y2316 | I1971-M2223 HydrophobicContact CD1-SD 3.93Å; I1971-V2237 CarbonylContact C-O 3.4Å; I1971-V2237 WeakPolarHBondContact CA-O 3.48Å; I1971-V2237 HydrophobicContact CG1-CB 4.23Å; I1971-V2237 HydrophobicContact CG1-CG2 4.46Å; I1971-V2237 HydrophobicContact CG2-CB 4.5Å; I1971-V2237 HydrophobicContact CG2-CG1 4.39Å; I1971-R2239 HydrophobicContact CG2-CG 4.15Å; I1971-E2315 PolarHBondContact N-OE2 2.99Å; I1971-E2315 VanDerWaalsContact O-OE2 3.07Å; I1971-Y2316 HydrophobicContact CD1-CE2 4.19Å; I1971-Y2316 WeakPolarHBondContact CD1-OH 3.44Å; I1971-Y2316 HydrophobicContact CG1-CE2 4.47Å |
| 1972 | Q | 85.3 | Confident | 79.2 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.2 | 179.3 | -59.7 | -150.2 | -73.6 | 0 | 0 | 112.2 | I1970 V2237 Y2238 R2239 Y2312 E2315 | I1970-Q1972 HydrophobicContact CG2-CG 4.47Å; Q1972-V2237 PolarHBondContact N-O 2.9Å; Q1972-Y2238 HydrophobicContact CB-CD1 4.09Å; Q1972-Y2238 HydrophobicContact CB-CE1 4.42Å; Q1972-Y2238 WeakPolarHBondContact O-CA 3.35Å; Q1972-R2239 PolarHBondContact O-N 3.12Å; Q1972-Y2312 VanDerWaalsContact CD-CE2 3.5Å; Q1972-Y2312 HydrophobicContact CG-CE2 3.77Å; Q1972-Y2312 PolarHBondContact OE1-OH 3.34Å; Q1972-E2315 PolarHBondContact N-OE2 2.93Å |
| 1973 | D | 86.8 | Confident | 80.1 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.7 | 172.1 | -72.1 | -21.8 | 0 | 0 | 0 | 110.8 | A1975 R2239 I2241 F2321 | D1973-A1975 PolarHBondContact O-N 2.63Å; D1973-R2239 WeakPolarHBondContact OD1-CB 3.48Å; D1973-R2239 IonicContact OD1-CZ 3.19Å; D1973-R2239 IonicContact OD1-NE 2.84Å; D1973-R2239 PolarHBondContact OD1-NE 2.84Å; D1973-R2239 IonicContact OD1-NH2 2.7Å; D1973-R2239 PolarHBondContact OD1-NH2 3.06Å; D1973-R2239 IonicContact OD2-CZ 2.98Å; D1973-R2239 IonicContact OD2-NH2 3.68Å; D1973-R2239 PolarHBondContact OD2-NH2 2.74Å; D1973-I2241 HydrophobicContact CB-CD1 3.91Å; D1973-I2241 WeakPolarHBondContact OD1-CD1 3.31Å; D1973-F2321 WeakPolarHBondContact OD2-CE2 3.46Å |
| 1974 | F | 86.9 | Confident | 81.3 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 23% | 0.232 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 94.5 | 179.4 | -160.3 | -72.7 | 0 | 0 | 0 | 109.7 | C1976 A2077 L2081 R2239 L2240 I2241 | F1974-C1976 PolarHBondContact O-N 3.05Å; F1974-C1976 PolarHBondContact O-SG 2.81Å; F1974-A2077 HydrophobicContact CD1-CB 3.97Å; F1974-A2077 HydrophobicContact CE1-CB 3.67Å; F1974-L2081 HydrophobicContact CD2-CD1 4.34Å; F1974-L2081 HydrophobicContact CE2-CD1 4.37Å; F1974-R2239 PolarHBondContact N-O 3.23Å; F1974-L2240 HydrophobicContact CB-CD2 4.05Å; F1974-L2240 HydrophobicContact CD1-CD2 3.79Å; F1974-L2240 HydrophobicContact CG-CD2 4.1Å; F1974-I2241 PolarHBondContact O-N 3.24Å; F1974-I2241 VanDerWaalsContact O-N 3.1Å |
| 1975 | A | 85.8 | Confident | 82.4 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 129.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1973 I2241 E2243 | D1973-A1975 PolarHBondContact O-N 2.63Å; A1975-I2241 CarbonylContact C-O 2.8Å; A1975-I2241 WeakPolarHBondContact CA-O 3.46Å; A1975-E2243 HydrophobicContact CB-CG 3.91Å; A1975-E2243 VanDerWaalsContact CB-OE1 3.31Å; A1975-E2243 WeakPolarHBondContact CB-OE1 3.32Å |
| 1976 | C | 86.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.2 | -174 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | F1974 K2074 A2077 I2241 T2242 E2243 | F1974-C1976 PolarHBondContact O-N 3.05Å; F1974-C1976 PolarHBondContact O-SG 2.81Å; C1976-K2074 HydrophobicContact CB-CG 4.47Å; C1976-A2077 WeakPolarHBondContact SG-CB 3.29Å; C1976-I2241 WeakPolarHBondContact CB-O 3.28Å; C1976-I2241 PolarHBondContact N-O 3.29Å; C1976-T2242 CarbonylContact O-C 3.44Å; C1976-T2242 VanDerWaalsContact O-CA 3.29Å; C1976-T2242 WeakPolarHBondContact O-CA 3.38Å; C1976-E2243 PolarHBondContact O-N 3.35Å |
| 1977 | K | 86.2 | Confident | 84.1 | Confident | 149 Ų | 149 | 46.2 Ų | 46.2 | 65% | 0.648 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -77.1 | 135 | 174.7 | -73.6 | 178.1 | 178.6 | -175.4 | 0 | 111.3 | T1979 G2073 E2243 | K1977-T1979 PolarHBondContact O-N 3.38Å; K1977-G2073 WeakPolarHBondContact O-CA 3.35Å; K1977-E2243 WeakPolarHBondContact CE-OE2 3.23Å; K1977-E2243 WeakPolarHBondContact CG-OE2 3.25Å |
| 1978 | M | 84 | Confident | 84.7 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 135.3 | 169.2 | -66 | -167.3 | -160.8 | 0 | 0 | 110.4 | Q1982 Y1986 T2242 D2244 S2245 | M1978-Q1982 HydrophobicContact CB-CB 4Å; M1978-Q1982 HydrophobicContact CG-CB 4.43Å; M1978-Y1986 HydrophobicContact CE-CD2 3.84Å; M1978-Y1986 HydrophobicContact CE-CE2 3.97Å; M1978-Y1986 HydrophobicContact CE-CG 4.16Å; M1978-Y1986 HydrophobicContact SD-CD2 4.3Å; M1978-Y1986 HydrophobicContact SD-CG 4.33Å; M1978-T2242 HydrophobicContact CE-CG2 4.25Å; M1978-T2242 HydrophobicContact CG-CG2 3.49Å; M1978-T2242 VanDerWaalsContact CG-CG2 3.49Å; M1978-D2244 WeakPolarHBondContact CE-O 3.44Å; M1978-S2245 VanDerWaalsContact CE-CB 3.47Å |
| 1979 | T | 87.7 | Confident | 85.1 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 158.9 | 167.1 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | K1977 I1981 Q1982 R1983 Y2071 | K1977-T1979 PolarHBondContact O-N 3.38Å; T1979-I1981 PolarHBondContact O-N 3.5Å; T1979-I1981 VanDerWaalsContact O-N 3.1Å; T1979-I1981 VanDerWaalsContact OG1-CG2 3.3Å; T1979-I1981 WeakPolarHBondContact OG1-CG2 3.27Å; T1979-Q1982 WeakPolarHBondContact O-CB 3.38Å; T1979-Q1982 PolarHBondContact O-N 3.08Å; T1979-Q1982 VanDerWaalsContact OG1-CG 3.31Å; T1979-Q1982 WeakPolarHBondContact OG1-CG 3.24Å; T1979-Q1982 PolarHBondContact OG1-N 2.92Å; T1979-Q1982 PolarHBondContact OG1-OE1 2.83Å; T1979-R1983 PolarHBondContact O-N 3.42Å; T1979-Y2071 PolarHBondContact OG1-O 3.13Å |
| 1980 | P | 84.5 | Confident | 85 | Confident | 115 Ų | 115 | 45.5 Ų | 45.5 | 75% | 0.747 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -53.3 | -36.1 | -180 | -28.5 | 36 | 0 | 0 | 0 | 113.4 | K1984 | P1980-K1984 WeakPolarHBondContact O-CB 3.33Å; P1980-K1984 PolarHBondContact O-N 3.12Å |
| 1981 | I | 84.2 | Confident | 84.8 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.7 | -36 | 176.4 | -173.9 | 162.5 | 0 | 0 | 0 | 113.3 | T1979 R1983 K1984 L1985 P2040 L2044 V2054 L2058 Y2071 | T1979-I1981 PolarHBondContact O-N 3.5Å; T1979-I1981 VanDerWaalsContact O-N 3.1Å; T1979-I1981 VanDerWaalsContact OG1-CG2 3.3Å; T1979-I1981 WeakPolarHBondContact OG1-CG2 3.27Å; I1981-R1983 VanDerWaalsContact C-N 3.35Å; I1981-K1984 PolarHBondContact O-N 3.37Å; I1981-L1985 HydrophobicContact CG1-CD1 4.23Å; I1981-L1985 HydrophobicContact CG1-CG 4.45Å; I1981-L1985 WeakPolarHBondContact O-CB 3.33Å; I1981-L1985 WeakPolarHBondContact O-CG 3.29Å; I1981-L1985 PolarHBondContact O-N 2.91Å; I1981-P2040 HydrophobicContact CG2-CG 3.9Å; I1981-L2044 HydrophobicContact CD1-CD1 4.38Å; I1981-V2054 HydrophobicContact CD1-CB 4.29Å; I1981-V2054 HydrophobicContact CD1-CG1 3.44Å; I1981-V2054 VanDerWaalsContact CD1-CG1 3.44Å; I1981-V2054 HydrophobicContact CD1-CG2 3.89Å; I1981-V2054 HydrophobicContact CG1-CG2 4.4Å; I1981-L2058 HydrophobicContact CD1-CD1 3.69Å; I1981-L2058 HydrophobicContact CD1-CG 4.34Å; I1981-Y2071 HydrophobicContact CG2-CD1 4.35Å |
| 1982 | Q | 88.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 171.5 | -72.1 | 177.4 | -66.8 | 0 | 0 | 110.2 | M1978 T1979 K1984 L1985 Y1986 V2036 C2037 P2040 | M1978-Q1982 HydrophobicContact CB-CB 4Å; M1978-Q1982 HydrophobicContact CG-CB 4.43Å; T1979-Q1982 WeakPolarHBondContact O-CB 3.38Å; T1979-Q1982 PolarHBondContact O-N 3.08Å; T1979-Q1982 VanDerWaalsContact OG1-CG 3.31Å; T1979-Q1982 WeakPolarHBondContact OG1-CG 3.24Å; T1979-Q1982 PolarHBondContact OG1-N 2.92Å; T1979-Q1982 PolarHBondContact OG1-OE1 2.83Å; Q1982-K1984 PolarHBondContact O-N 2.97Å; Q1982-L1985 PolarHBondContact O-N 3.11Å; Q1982-Y1986 WeakPolarHBondContact O-CB 3.12Å; Q1982-Y1986 PolarHBondContact O-N 3.11Å; Q1982-V2036 HydrophobicContact CB-CG1 4.12Å; Q1982-V2036 WeakPolarHBondContact CG-O 3.24Å; Q1982-V2036 PolarHBondContact NE2-O 2.88Å; Q1982-V2036 WeakPolarHBondContact O-CG1 3.25Å; Q1982-C2037 PolarHBondContact NE2-O 3.27Å; Q1982-P2040 HydrophobicContact CG-CG 3.68Å |
| 1983 | R | 86.8 | Confident | 83.8 | Confident | 134 Ų | 134 | 56.6 Ų | 56.6 | 51% | 0.506 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 176.1 | -173.6 | -179.7 | -64.5 | 165 | -1.8 | 112 | T1979 I1981 L1985 Y1986 E1987 | T1979-R1983 PolarHBondContact O-N 3.42Å; I1981-R1983 VanDerWaalsContact C-N 3.35Å; R1983-L1985 VanDerWaalsContact C-N 3.34Å; R1983-L1985 PolarHBondContact O-N 2.96Å; R1983-Y1986 WeakPolarHBondContact O-CB 3.36Å; R1983-Y1986 PolarHBondContact O-N 3.21Å; R1983-Y1986 VanDerWaalsContact O-N 3.11Å; R1983-E1987 WeakPolarHBondContact CD-OE1 3.4Å; R1983-E1987 HydrophobicContact CG-CG 4.36Å; R1983-E1987 VanDerWaalsContact CG-OE1 3.24Å; R1983-E1987 WeakPolarHBondContact CG-OE1 3.14Å; R1983-E1987 PolarHBondContact O-N 3.04Å |
| 1984 | K | 85.2 | Confident | 82.7 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 176.9 | -172.2 | 173.3 | -179.4 | 176 | 0 | 112.6 | P1980 I1981 Q1982 S1988 E2053 E2057 | P1980-K1984 WeakPolarHBondContact O-CB 3.33Å; P1980-K1984 PolarHBondContact O-N 3.12Å; I1981-K1984 PolarHBondContact O-N 3.37Å; Q1982-K1984 PolarHBondContact O-N 2.97Å; K1984-S1988 WeakPolarHBondContact O-CB 3.43Å; K1984-S1988 PolarHBondContact O-N 3.44Å; K1984-S1988 VanDerWaalsContact O-N 3.11Å; K1984-S1988 PolarHBondContact O-OG 2.87Å; K1984-E2053 WeakPolarHBondContact CE-OE1 3.41Å; K1984-E2053 IonicContact NZ-OE1 2.64Å; K1984-E2053 PolarHBondContact NZ-OE1 3.11Å; K1984-E2057 IonicContact NZ-OE1 3.08Å; K1984-E2057 PolarHBondContact NZ-OE1 3.11Å; K1984-E2057 VanDerWaalsContact NZ-OE1 3.14Å; K1984-E2057 IonicContact NZ-OE2 3.21Å; K1984-E2057 PolarHBondContact NZ-OE2 3.46Å |
| 1985 | L | 85.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.1 | -30 | 176.3 | -69.9 | 174.2 | 0 | 0 | 0 | 113.6 | I1981 Q1982 R1983 S1988 F1989 V2036 P2040 L2044 H2048 L2050 | I1981-L1985 HydrophobicContact CG1-CD1 4.23Å; I1981-L1985 HydrophobicContact CG1-CG 4.45Å; I1981-L1985 WeakPolarHBondContact O-CB 3.33Å; I1981-L1985 WeakPolarHBondContact O-CG 3.29Å; I1981-L1985 PolarHBondContact O-N 2.91Å; Q1982-L1985 PolarHBondContact O-N 3.11Å; R1983-L1985 VanDerWaalsContact C-N 3.34Å; R1983-L1985 PolarHBondContact O-N 2.96Å; L1985-S1988 WeakPolarHBondContact CA-OG 3.32Å; L1985-S1988 PolarHBondContact O-OG 3.26Å; L1985-F1989 WeakPolarHBondContact O-CB 3.08Å; L1985-F1989 PolarHBondContact O-N 3.19Å; L1985-V2036 HydrophobicContact CB-CG1 4Å; L1985-V2036 HydrophobicContact CB-CG2 4.06Å; L1985-P2040 HydrophobicContact CD1-CB 3.86Å; L1985-L2044 HydrophobicContact CD1-CD1 4.03Å; L1985-L2044 HydrophobicContact CD1-CD2 4.46Å; L1985-L2044 HydrophobicContact CD1-CG 4.09Å; L1985-L2044 HydrophobicContact CD2-CD2 4.1Å; L1985-H2048 VanDerWaalsContact CD2-CE1 3.43Å; L1985-H2048 WeakPolarHBondContact CD2-CE1 3.42Å; L1985-L2050 HydrophobicContact CD2-CD1 4.22Å |
| 1986 | Y | 86.6 | Confident | 80.8 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.9 | -54.5 | 177.5 | -161.8 | -80.9 | 0 | 0 | 0 | 110.7 | M1978 Q1982 R1983 S1988 F1989 Q1990 F2033 V2036 I2246 | M1978-Y1986 HydrophobicContact CE-CD2 3.84Å; M1978-Y1986 HydrophobicContact CE-CE2 3.97Å; M1978-Y1986 HydrophobicContact CE-CG 4.16Å; M1978-Y1986 HydrophobicContact SD-CD2 4.3Å; M1978-Y1986 HydrophobicContact SD-CG 4.33Å; Q1982-Y1986 WeakPolarHBondContact O-CB 3.12Å; Q1982-Y1986 PolarHBondContact O-N 3.11Å; R1983-Y1986 WeakPolarHBondContact O-CB 3.36Å; R1983-Y1986 PolarHBondContact O-N 3.21Å; R1983-Y1986 VanDerWaalsContact O-N 3.11Å; Y1986-S1988 PolarHBondContact O-N 3.31Å; Y1986-F1989 PolarHBondContact O-N 3.45Å; Y1986-Q1990 WeakPolarHBondContact O-CB 2.96Å; Y1986-Q1990 PolarHBondContact O-N 3.47Å; Y1986-F2033 HydrophobicContact CD1-CD1 4.17Å; Y1986-F2033 HydrophobicContact CD1-CE1 4.05Å; Y1986-F2033 AromaticContact CD2-CD1 3.68Å; Y1986-F2033 HydrophobicContact CD2-CD1 3.68Å; Y1986-F2033 HydrophobicContact CD2-CE1 4.36Å; Y1986-F2033 AromaticContact CE1-CD1 3.99Å; Y1986-F2033 HydrophobicContact CE1-CD1 3.99Å; Y1986-F2033 AromaticContact CE1-CE1 3.94Å; Y1986-F2033 HydrophobicContact CE1-CE1 3.94Å; Y1986-F2033 HydrophobicContact CE2-CB 4.01Å; Y1986-F2033 AromaticContact CE2-CD1 3.46Å; Y1986-F2033 HydrophobicContact CE2-CD1 3.46Å; Y1986-F2033 VanDerWaalsContact CE2-CD1 3.46Å; Y1986-F2033 HydrophobicContact CE2-CE1 4.25Å; Y1986-F2033 HydrophobicContact CE2-CG 4.08Å; Y1986-F2033 HydrophobicContact CG-CD1 4.03Å; Y1986-F2033 HydrophobicContact CG-CE1 4.26Å; Y1986-F2033 AromaticContact CZ-CD1 3.63Å; Y1986-V2036 HydrophobicContact CD2-CG1 4.39Å; Y1986-I2246 PolarHBondContact OH-N 3.35Å |
| 1987 | E | 84.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.5 | -71.2 | 179.1 | -153.6 | 0 | 0 | 113.1 | R1983 F1989 Q1990 K1991 | R1983-E1987 WeakPolarHBondContact CD-OE1 3.4Å; R1983-E1987 HydrophobicContact CG-CG 4.36Å; R1983-E1987 VanDerWaalsContact CG-OE1 3.24Å; R1983-E1987 WeakPolarHBondContact CG-OE1 3.14Å; R1983-E1987 PolarHBondContact O-N 3.04Å; E1987-F1989 VanDerWaalsContact C-N 3.32Å; E1987-F1989 PolarHBondContact O-N 3Å; E1987-Q1990 PolarHBondContact O-N 3.02Å; E1987-K1991 WeakPolarHBondContact O-CG 3.29Å; E1987-K1991 PolarHBondContact O-N 3.17Å; E1987-K1991 VanDerWaalsContact O-N 3.07Å; E1987-K1991 IonicContact OE2-NZ 3.67Å |
| 1988 | S | 82.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 179.6 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | K1984 L1985 Y1986 K1991 L2050 | K1984-S1988 WeakPolarHBondContact O-CB 3.43Å; K1984-S1988 PolarHBondContact O-N 3.44Å; K1984-S1988 VanDerWaalsContact O-N 3.11Å; K1984-S1988 PolarHBondContact O-OG 2.87Å; L1985-S1988 WeakPolarHBondContact CA-OG 3.32Å; L1985-S1988 PolarHBondContact O-OG 3.26Å; Y1986-S1988 PolarHBondContact O-N 3.31Å; S1988-K1991 PolarHBondContact O-N 2.8Å; S1988-L2050 VanDerWaalsContact OG-CD1 3.29Å; S1988-L2050 WeakPolarHBondContact OG-CD1 2.98Å |
| 1989 | F | 81.9 | Confident | 77.1 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.6 | -39 | 174.8 | -171.3 | -105 | 0 | 0 | 0 | 112.6 | L1985 Y1986 E1987 K1991 T1992 E1994 G1995 A2029 Y2032 F2033 | L1985-F1989 WeakPolarHBondContact O-CB 3.08Å; L1985-F1989 PolarHBondContact O-N 3.19Å; Y1986-F1989 PolarHBondContact O-N 3.45Å; E1987-F1989 VanDerWaalsContact C-N 3.32Å; E1987-F1989 PolarHBondContact O-N 3Å; F1989-K1991 PolarHBondContact O-N 2.66Å; F1989-T1992 HydrophobicContact CD2-CG2 4.47Å; F1989-T1992 WeakPolarHBondContact O-CB 3.48Å; F1989-T1992 PolarHBondContact O-N 3.29Å; F1989-T1992 PolarHBondContact O-OG1 2.98Å; F1989-E1994 HydrophobicContact CE2-CB 4.37Å; F1989-E1994 HydrophobicContact CZ-CB 4.08Å; F1989-G1995 WeakPolarHBondContact O-CA 3.46Å; F1989-A2029 HydrophobicContact CE1-CB 3.52Å; F1989-A2029 HydrophobicContact CZ-CB 3.63Å; F1989-Y2032 HydrophobicContact CB-CD1 3.82Å; F1989-Y2032 HydrophobicContact CB-CE1 3.24Å; F1989-Y2032 AromaticContact CD1-CD1 3.43Å; F1989-Y2032 HydrophobicContact CD1-CD1 3.43Å; F1989-Y2032 VanDerWaalsContact CD1-CD1 3.43Å; F1989-Y2032 AromaticContact CD1-CE1 3.83Å; F1989-Y2032 HydrophobicContact CD1-CE1 3.83Å; F1989-Y2032 AromaticContact CD1-CG 3.96Å; F1989-Y2032 HydrophobicContact CD1-CG 3.96Å; F1989-Y2032 AromaticContact CD2-CD1 3.92Å; F1989-Y2032 HydrophobicContact CD2-CD1 3.92Å; F1989-Y2032 HydrophobicContact CD2-CD2 4.04Å; F1989-Y2032 AromaticContact CD2-CE1 3.79Å; F1989-Y2032 HydrophobicContact CD2-CE1 3.79Å; F1989-Y2032 AromaticContact CD2-CE2 3.87Å; F1989-Y2032 HydrophobicContact CD2-CE2 3.87Å; F1989-Y2032 HydrophobicContact CD2-CG 4.06Å; F1989-Y2032 AromaticContact CD2-CZ 3.75Å; F1989-Y2032 AromaticContact CE1-CD1 3.94Å; F1989-Y2032 HydrophobicContact CE1-CD1 3.94Å; F1989-Y2032 HydrophobicContact CE1-CG 4Å; F1989-Y2032 HydrophobicContact CE2-CD1 4.38Å; F1989-Y2032 HydrophobicContact CE2-CD2 4.07Å; F1989-Y2032 HydrophobicContact CE2-CE2 4.28Å; F1989-Y2032 HydrophobicContact CE2-CG 4.11Å; F1989-Y2032 AromaticContact CG-CD1 3.42Å; F1989-Y2032 HydrophobicContact CG-CD1 3.42Å; F1989-Y2032 VanDerWaalsContact CG-CD1 3.42Å; F1989-Y2032 HydrophobicContact CG-CD2 4.4Å; F1989-Y2032 AromaticContact CG-CE1 3.33Å; F1989-Y2032 HydrophobicContact CG-CE1 3.33Å; F1989-Y2032 HydrophobicContact CG-CE2 4.29Å; F1989-Y2032 AromaticContact CG-CG 3.99Å; F1989-Y2032 HydrophobicContact CG-CG 3.99Å; F1989-Y2032 AromaticContact CG-CZ 3.78Å; F1989-Y2032 HydrophobicContact CZ-CD1 4.39Å; F1989-Y2032 HydrophobicContact CZ-CD2 4.43Å; F1989-Y2032 HydrophobicContact CZ-CG 4.08Å; F1989-F2033 HydrophobicContact CD1-CD1 4.27Å; F1989-F2033 HydrophobicContact CD1-CD2 4.46Å; F1989-F2033 AromaticContact CD1-CE1 3.8Å; F1989-F2033 HydrophobicContact CD1-CE1 3.8Å; F1989-F2033 AromaticContact CD1-CE2 4Å; F1989-F2033 HydrophobicContact CD1-CE2 4Å; F1989-F2033 AromaticContact CD1-CZ 3.65Å; F1989-F2033 HydrophobicContact CD1-CZ 3.65Å; F1989-F2033 HydrophobicContact CE1-CD2 4.46Å; F1989-F2033 HydrophobicContact CE1-CE2 4.07Å; F1989-F2033 HydrophobicContact CE1-CZ 4.18Å |
| 1990 | Q | 78.7 | Confident | 75.6 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.6 | -31.2 | 173.7 | -174.8 | 179.7 | -14.3 | 0 | 0 | 112.6 | Y1986 E1987 T1992 Q1996 M1999 F2033 | Y1986-Q1990 WeakPolarHBondContact O-CB 2.96Å; Y1986-Q1990 PolarHBondContact O-N 3.47Å; E1987-Q1990 PolarHBondContact O-N 3.02Å; Q1990-T1992 VanDerWaalsContact C-N 3.34Å; Q1990-Q1996 WeakPolarHBondContact O-CG 3.43Å; Q1990-M1999 HydrophobicContact CG-CG 4.43Å; Q1990-F2033 HydrophobicContact CB-CE1 4.3Å; Q1990-F2033 HydrophobicContact CB-CZ 4.28Å |
| 1991 | K | 79.7 | Confident | 74 | Confident | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.4 | 174.7 | -71.9 | 165.1 | -175.4 | 163 | 0 | 114.4 | E1987 S1988 F1989 | E1987-K1991 WeakPolarHBondContact O-CG 3.29Å; E1987-K1991 PolarHBondContact O-N 3.17Å; E1987-K1991 VanDerWaalsContact O-N 3.07Å; E1987-K1991 IonicContact OE2-NZ 3.67Å; S1988-K1991 PolarHBondContact O-N 2.8Å; F1989-K1991 PolarHBondContact O-N 2.66Å |
| 1992 | T | 78.7 | Confident | 72.3 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -78 | 155.4 | 176.4 | 68.7 | 0 | 0 | 0 | 0 | 112 | F1989 Q1990 E1994 G1995 Q1996 | F1989-T1992 HydrophobicContact CD2-CG2 4.47Å; F1989-T1992 WeakPolarHBondContact O-CB 3.48Å; F1989-T1992 PolarHBondContact O-N 3.29Å; F1989-T1992 PolarHBondContact O-OG1 2.98Å; Q1990-T1992 VanDerWaalsContact C-N 3.34Å; T1992-E1994 PolarHBondContact O-N 3.44Å; T1992-E1994 VanDerWaalsContact O-N 3.13Å; T1992-E1994 PolarHBondContact OG1-N 3.02Å; T1992-G1995 PolarHBondContact O-N 3.5Å; T1992-G1995 VanDerWaalsContact O-N 3.08Å; T1992-G1995 PolarHBondContact OG1-N 3.36Å; T1992-G1995 VanDerWaalsContact OG1-N 3.14Å; T1992-Q1996 WeakPolarHBondContact O-CG 3.32Å; T1992-Q1996 PolarHBondContact O-N 3.49Å |
| 1993 | D | 68.4 | Low | 70.1 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -46.5 | -37.9 | 168.2 | -103.4 | 50.5 | 0 | 0 | 0 | 113.6 | K1997 | D1993-K1997 WeakPolarHBondContact O-CB 3.38Å; D1993-K1997 VanDerWaalsContact O-CD 3.22Å; D1993-K1997 WeakPolarHBondContact O-CD 3.29Å; D1993-K1997 WeakPolarHBondContact O-CG 3.3Å; D1993-K1997 PolarHBondContact O-N 3.14Å; D1993-K1997 IonicContact OD2-NZ 3.15Å; D1993-K1997 PolarHBondContact OD2-NZ 2.84Å |
| 1994 | E | 64.6 | Low | 67.8 | Low | 73 Ų | 73 | 62.4 Ų | 62.4 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.8 | -42.4 | -179.8 | -60.3 | -163.6 | 141.7 | 0 | 0 | 111.6 | F1989 T1992 K1997 V1998 H2025 | F1989-E1994 HydrophobicContact CE2-CB 4.37Å; F1989-E1994 HydrophobicContact CZ-CB 4.08Å; T1992-E1994 PolarHBondContact O-N 3.44Å; T1992-E1994 VanDerWaalsContact O-N 3.13Å; T1992-E1994 PolarHBondContact OG1-N 3.02Å; E1994-K1997 PolarHBondContact O-N 2.81Å; E1994-V1998 PolarHBondContact O-N 2.71Å; E1994-H2025 IonicContact OE1-ND1 2.89Å |
| 1995 | G | 63.6 | Low | 65.6 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1989 T1992 K1997 V1998 M1999 | F1989-G1995 WeakPolarHBondContact O-CA 3.46Å; T1992-G1995 PolarHBondContact O-N 3.5Å; T1992-G1995 VanDerWaalsContact O-N 3.08Å; T1992-G1995 PolarHBondContact OG1-N 3.36Å; T1992-G1995 VanDerWaalsContact OG1-N 3.14Å; G1995-K1997 PolarHBondContact O-N 2.91Å; G1995-V1998 PolarHBondContact O-N 2.87Å; G1995-V1998 VanDerWaalsContact O-N 3.14Å; G1995-M1999 WeakPolarHBondContact O-CG 3.36Å; G1995-M1999 PolarHBondContact O-N 2.87Å |
| 1996 | Q | 67.8 | Low | 63.3 | Low | 101 Ų | 101 | 63.7 Ų | 63.7 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.2 | -68.8 | -174.1 | 1.9 | 0 | 0 | 112.3 | Q1990 T1992 V1998 M1999 N2000 | Q1990-Q1996 WeakPolarHBondContact O-CG 3.43Å; T1992-Q1996 WeakPolarHBondContact O-CG 3.32Å; T1992-Q1996 PolarHBondContact O-N 3.49Å; Q1996-V1998 VanDerWaalsContact C-N 3.27Å; Q1996-V1998 PolarHBondContact O-N 2.82Å; Q1996-M1999 PolarHBondContact O-N 2.73Å; Q1996-N2000 VanDerWaalsContact O-CB 3.29Å; Q1996-N2000 WeakPolarHBondContact O-CB 3.44Å; Q1996-N2000 PolarHBondContact O-N 2.74Å |
| 1997 | K | 61.9 | Low | 60.6 | Low | 123 Ų | 123 | 65.3 Ų | 65.3 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -32.9 | 173.9 | -77.3 | 163 | -163.2 | 154.4 | 0 | 112.1 | D1993 E1994 G1995 F2001 | D1993-K1997 WeakPolarHBondContact O-CB 3.38Å; D1993-K1997 VanDerWaalsContact O-CD 3.22Å; D1993-K1997 WeakPolarHBondContact O-CD 3.29Å; D1993-K1997 WeakPolarHBondContact O-CG 3.3Å; D1993-K1997 PolarHBondContact O-N 3.14Å; D1993-K1997 IonicContact OD2-NZ 3.15Å; D1993-K1997 PolarHBondContact OD2-NZ 2.84Å; E1994-K1997 PolarHBondContact O-N 2.81Å; G1995-K1997 PolarHBondContact O-N 2.91Å; K1997-F2001 WeakPolarHBondContact O-CB 3.38Å; K1997-F2001 PolarHBondContact O-N 2.68Å |
| 1998 | V | 59.3 | Low | 57.9 | Low | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.03 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -74.5 | -45 | 172.6 | 165.2 | 0 | 0 | 0 | 0 | 112.9 | E1994 G1995 Q1996 N2000 F2001 V2002 G2026 A2029 L2030 F2033 | E1994-V1998 PolarHBondContact O-N 2.71Å; G1995-V1998 PolarHBondContact O-N 2.87Å; G1995-V1998 VanDerWaalsContact O-N 3.14Å; Q1996-V1998 VanDerWaalsContact C-N 3.27Å; Q1996-V1998 PolarHBondContact O-N 2.82Å; V1998-N2000 VanDerWaalsContact C-N 3.27Å; V1998-N2000 PolarHBondContact O-N 2.82Å; V1998-F2001 PolarHBondContact O-N 2.75Å; V1998-V2002 HydrophobicContact CG1-CG2 4.07Å; V1998-V2002 WeakPolarHBondContact O-CB 3.32Å; V1998-V2002 VanDerWaalsContact O-CG2 3.25Å; V1998-V2002 WeakPolarHBondContact O-CG2 3.39Å; V1998-V2002 PolarHBondContact O-N 3.22Å; V1998-G2026 VanDerWaalsContact CG2-CA 3.48Å; V1998-G2026 WeakPolarHBondContact CG2-O 3.5Å; V1998-A2029 HydrophobicContact CB-CB 4.1Å; V1998-A2029 HydrophobicContact CG2-CB 3.36Å; V1998-L2030 HydrophobicContact CG1-CD2 3.64Å; V1998-L2030 HydrophobicContact CG1-CG 4.19Å; V1998-F2033 HydrophobicContact CG1-CE2 4.48Å |
| 1999 | M | 59.4 | Low | 55.5 | Low | 46 Ų | 46 | 73.7 Ų | 73.7 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.1 | -47.8 | 175.1 | -66.9 | -58.7 | -67.5 | 0 | 0 | 109.9 | Q1990 G1995 Q1996 V2002 S2003 | Q1990-M1999 HydrophobicContact CG-CG 4.43Å; G1995-M1999 WeakPolarHBondContact O-CG 3.36Å; G1995-M1999 PolarHBondContact O-N 2.87Å; Q1996-M1999 PolarHBondContact O-N 2.73Å; M1999-V2002 PolarHBondContact O-N 2.88Å; M1999-S2003 WeakPolarHBondContact O-CB 3.3Å; M1999-S2003 PolarHBondContact O-N 3.02Å; M1999-S2003 PolarHBondContact O-OG 2.98Å |
| 2000 | N | 54.9 | Low | 53.1 | Low | 100 Ų | 100 | 82.9 Ų | 82.9 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.4 | -65.7 | -8.5 | 0 | 0 | 0 | 112.5 | Q1996 V1998 V2002 S2003 T2004 | Q1996-N2000 VanDerWaalsContact O-CB 3.29Å; Q1996-N2000 WeakPolarHBondContact O-CB 3.44Å; Q1996-N2000 PolarHBondContact O-N 2.74Å; V1998-N2000 VanDerWaalsContact C-N 3.27Å; V1998-N2000 PolarHBondContact O-N 2.82Å; N2000-V2002 VanDerWaalsContact C-N 3.33Å; N2000-V2002 PolarHBondContact O-N 2.93Å; N2000-S2003 CarbonylContact O-C 3.59Å; N2000-S2003 WeakPolarHBondContact O-CA 3.46Å; N2000-S2003 WeakPolarHBondContact O-CB 3.49Å; N2000-S2003 PolarHBondContact O-N 3.18Å; N2000-S2003 VanDerWaalsContact O-N 3.11Å; N2000-T2004 WeakPolarHBondContact O-CB 3.26Å; N2000-T2004 PolarHBondContact O-N 3.26Å; N2000-T2004 PolarHBondContact O-OG1 3.09Å |
| 2001 | F | 51.8 | Low | 50.6 | Low | 119 Ų | 119 | 85.6 Ų | 85.6 | 52% | 0.522 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.3 | -176.5 | -96.1 | 0 | 0 | 0 | 112.2 | K1997 V1998 S2003 T2004 S2005 | K1997-F2001 WeakPolarHBondContact O-CB 3.38Å; K1997-F2001 PolarHBondContact O-N 2.68Å; V1998-F2001 PolarHBondContact O-N 2.75Å; F2001-S2003 VanDerWaalsContact C-N 3.34Å; F2001-T2004 PolarHBondContact O-N 3.23Å; F2001-S2005 WeakPolarHBondContact CD1-OG 3.49Å; F2001-S2005 WeakPolarHBondContact CD2-OG 3.48Å; F2001-S2005 WeakPolarHBondContact CE1-OG 3.31Å; F2001-S2005 VanDerWaalsContact CE2-OG 3.24Å; F2001-S2005 WeakPolarHBondContact CE2-OG 3.47Å; F2001-S2005 WeakPolarHBondContact CG-OG 3.13Å; F2001-S2005 VanDerWaalsContact CZ-OG 3.26Å; F2001-S2005 WeakPolarHBondContact CZ-OG 3.37Å; F2001-S2005 WeakPolarHBondContact O-CB 3.45Å; F2001-S2005 PolarHBondContact O-N 3.24Å; F2001-S2005 PolarHBondContact O-OG 3.49Å |
| 2002 | V | 48.2 | Very low | 48.1 | Very low | 37 Ų | 37 | 87.1 Ų | 87.1 | 22% | 0.224 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67 | -35.9 | 172.4 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | V1998 M1999 N2000 L2030 F2281 | V1998-V2002 HydrophobicContact CG1-CG2 4.07Å; V1998-V2002 WeakPolarHBondContact O-CB 3.32Å; V1998-V2002 VanDerWaalsContact O-CG2 3.25Å; V1998-V2002 WeakPolarHBondContact O-CG2 3.39Å; V1998-V2002 PolarHBondContact O-N 3.22Å; M1999-V2002 PolarHBondContact O-N 2.88Å; N2000-V2002 VanDerWaalsContact C-N 3.33Å; N2000-V2002 PolarHBondContact O-N 2.93Å; V2002-L2030 HydrophobicContact CG2-CD2 4.45Å; V2002-F2281 HydrophobicContact CG1-CD1 4.09Å; V2002-F2281 HydrophobicContact CG1-CE1 3.88Å; V2002-F2281 WeakPolarHBondContact O-CD1 3.32Å; V2002-F2281 WeakPolarHBondContact O-CE1 3.13Å |
| 2003 | S | 41.6 | Very low | 45.7 | Very low | 44 Ų | 44 | 94.1 Ų | 94.1 | 31% | 0.308 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72 | -31.9 | 172.7 | -59.5 | 0 | 0 | 0 | 0 | 114.6 | M1999 N2000 F2001 | M1999-S2003 WeakPolarHBondContact O-CB 3.3Å; M1999-S2003 PolarHBondContact O-N 3.02Å; M1999-S2003 PolarHBondContact O-OG 2.98Å; N2000-S2003 CarbonylContact O-C 3.59Å; N2000-S2003 WeakPolarHBondContact O-CA 3.46Å; N2000-S2003 WeakPolarHBondContact O-CB 3.49Å; N2000-S2003 PolarHBondContact O-N 3.18Å; N2000-S2003 VanDerWaalsContact O-N 3.11Å; F2001-S2003 VanDerWaalsContact C-N 3.34Å |
| 2004 | T | 39.3 | Very low | 43.8 | Very low | 95 Ų | 95 | 100.8 Ų | 100.8 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -100.1 | -24.6 | -171.6 | -44.3 | 0 | 0 | 0 | 0 | 114.1 | N2000 F2001 S2006 | N2000-T2004 WeakPolarHBondContact O-CB 3.26Å; N2000-T2004 PolarHBondContact O-N 3.26Å; N2000-T2004 PolarHBondContact O-OG1 3.09Å; F2001-T2004 PolarHBondContact O-N 3.23Å; T2004-S2006 PolarHBondContact O-N 3.44Å; T2004-S2006 VanDerWaalsContact O-N 3.08Å |
| 2005 | S | 38.5 | Very low | 41.9 | Very low | 42 Ų | 42 | 102.6 Ų | 102.6 | 29% | 0.294 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.4 | -171.4 | -59.5 | 0 | 0 | 0 | 0 | 115.7 | F2001 | F2001-S2005 WeakPolarHBondContact CD1-OG 3.49Å; F2001-S2005 WeakPolarHBondContact CD2-OG 3.48Å; F2001-S2005 WeakPolarHBondContact CE1-OG 3.31Å; F2001-S2005 VanDerWaalsContact CE2-OG 3.24Å; F2001-S2005 WeakPolarHBondContact CE2-OG 3.47Å; F2001-S2005 WeakPolarHBondContact CG-OG 3.13Å; F2001-S2005 VanDerWaalsContact CZ-OG 3.26Å; F2001-S2005 WeakPolarHBondContact CZ-OG 3.37Å; F2001-S2005 WeakPolarHBondContact O-CB 3.45Å; F2001-S2005 PolarHBondContact O-N 3.24Å; F2001-S2005 PolarHBondContact O-OG 3.49Å |
| 2006 | S | 37.2 | Very low | 40.1 | Very low | 45 Ų | 45 | 108 Ų | 108 | 32% | 0.315 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.4 | -9.5 | -173.1 | -56.8 | 0 | 0 | 0 | 0 | 114 | T2004 F2281 | T2004-S2006 PolarHBondContact O-N 3.44Å; T2004-S2006 VanDerWaalsContact O-N 3.08Å; S2006-F2281 WeakPolarHBondContact OG-CD2 3.33Å; S2006-F2281 WeakPolarHBondContact OG-CE2 3.38Å; S2006-F2281 VanDerWaalsContact OG-CZ 3.22Å; S2006-F2281 WeakPolarHBondContact OG-CZ 3.37Å |
| 2007 | G | 30.1 | Very low | 38 | Very low | 60 Ų | 60 | 108.6 Ų | 108.6 | 62% | 0.619 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -35.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 2008 | D | 28.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 113 Ų | 113 | 73% | 0.733 | 59% | 0.593 | S | S | * | * | trans | -119.7 | 26.7 | -159.5 | -85.4 | -38.2 | 0 | 0 | 0 | 116.2 | Y2010 | D2008-Y2010 PolarHBondContact O-N 3.07Š| ||
| 2009 | F | 31.4 | Very low | 34.9 | Very low | 157 Ų | 157 | 115.6 Ų | 115.6 | 69% | 0.689 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 22.7 | -179.1 | -106.1 | -76.8 | 0 | 0 | 0 | 115.8 | ||
| 2010 | Y | 31.8 | Very low | 33.5 | Very low | 209 Ų | 209 | 117.3 Ų | 117.3 | 82% | 0.82 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 21.2 | 176.7 | -85.6 | -76.4 | 0 | 0 | 0 | 114.6 | A1924 D2008 | A1924-Y2010 WeakPolarHBondContact CB-OH 3.42Å; D2008-Y2010 PolarHBondContact O-N 3.07Å |
| 2011 | S | 25.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | trans | -145.1 | 96.9 | 167.1 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2012 | E | 27.1 | Very low | 31.6 | Very low | 176 Ų | 176 | 116 Ų | 116 | 82% | 0.822 | 66% | 0.658 | S | S | * | * | trans | -140.6 | 66.1 | 163.1 | -144.6 | 175.1 | -155.2 | 0 | 0 | 112.6 | ||||
| 2013 | Y | 28.7 | Very low | 31.3 | Very low | 201 Ų | 201 | 119.6 Ų | 119.6 | 79% | 0.788 | 68% | 0.681 | S | S | * | * | trans | -129.9 | 58.4 | 158.5 | -105.6 | -79.8 | 0 | 0 | 0 | 109.7 | ||||
| 2014 | R | 27.8 | Very low | 31.6 | Very low | 242 Ų | 242 | 121.4 Ų | 121.4 | 91% | 0.913 | 69% | 0.693 | S | S | * | * | trans | -137.4 | 93.9 | 160.1 | -79.8 | -161.9 | 178.2 | -178.6 | 1.8 | 110.9 | ||||
| 2015 | S | 25.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | -62.5 | 152.1 | 163.3 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2016 | S | 24.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 120 Ų | 120 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 77.2 | 130.3 | 170.3 | 74.1 | 0 | 0 | 0 | 0 | 118.6 | ||
| 2017 | S | 25.4 | Very low | 34.5 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | 73.9 | 60.3 | 165.6 | 66 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2018 | F | 29.7 | Very low | 36.3 | Very low | 216 Ų | 216 | 127.8 Ų | 127.8 | 95% | 0.947 | 69% | 0.693 | S | S | * | * | trans | -143.9 | 133.6 | 141.4 | -134.4 | -95.8 | 0 | 0 | 0 | 110.8 | ||||
| 2019 | G | 26.8 | Very low | 38.4 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 62% | 0.619 | 66% | 0.658 | S | S | * | * | trans | -96.1 | 127.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V2021 | G2019-V2021 PolarHBondContact O-N 2.91Š| ||
| 2020 | G | 28 | Very low | 40.4 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 85% | 0.845 | 63% | 0.632 | S | S | * | * | 70.2 | 0.3 | 120.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | S2022 | G2020-S2022 PolarHBondContact O-N 3.28Š| |||
| 2021 | V | 31.8 | Very low | 42.6 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 79% | 0.788 | 63% | 0.625 | S | S | * | * | trans | -102.6 | 74.2 | -178.5 | -169.8 | 0 | 0 | 0 | 0 | 112.9 | G2019 | G2019-V2021 PolarHBondContact O-N 2.91Š| ||
| 2022 | S | 35.4 | Very low | 45.4 | Very low | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 59% | 0.594 | S | S | . | * | trans | 36.2 | 93 | 145.6 | -71.1 | 0 | 0 | 0 | 0 | 120.5 | G2020 S2024 H2025 | G2020-S2022 PolarHBondContact O-N 3.28Å; S2022-S2024 PolarHBondContact O-N 3.2Å; S2022-H2025 WeakPolarHBondContact CB-CD2 3.31Å; S2022-H2025 WeakPolarHBondContact CB-NE2 3.42Å; S2022-H2025 PolarHBondContact O-CD2 3.44Å; S2022-H2025 PolarHBondContact O-N 2.78Å | ||
| 2023 | T | 41.6 | Very low | 48.2 | Very low | 113 Ų | 113 | 101.4 Ų | 101.4 | 69% | 0.693 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -17.1 | 151.8 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | H2025 G2026 | T2023-H2025 VanDerWaalsContact C-N 3.33Å; T2023-H2025 PolarHBondContact O-N 3Å; T2023-G2026 PolarHBondContact O-N 3.05Å |
| 2024 | S | 49.4 | Very low | 50.8 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.5 | -35.4 | 174.8 | -167.6 | 0 | 0 | 0 | 0 | 114.3 | S2022 H2028 | S2022-S2024 PolarHBondContact O-N 3.2Å; S2024-H2028 PolarHBondContact O-N 3.36Å |
| 2025 | H | 54.3 | Low | 53.6 | Low | 89 Ų | 89 | 82.9 Ų | 82.9 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | -179.1 | -64.2 | -73.7 | 0 | 0 | 0 | 111.6 | E1994 S2022 T2023 H2028 A2029 | E1994-H2025 IonicContact OE1-ND1 2.89Å; S2022-H2025 WeakPolarHBondContact CB-CD2 3.31Å; S2022-H2025 WeakPolarHBondContact CB-NE2 3.42Å; S2022-H2025 PolarHBondContact O-CD2 3.44Å; S2022-H2025 PolarHBondContact O-N 2.78Å; T2023-H2025 VanDerWaalsContact C-N 3.33Å; T2023-H2025 PolarHBondContact O-N 3Å; H2025-H2028 PolarHBondContact O-N 3.44Å; H2025-A2029 PolarHBondContact O-N 2.7Å; H2025-A2029 VanDerWaalsContact O-N 3.09Å |
| 2026 | G | 58.8 | Low | 56.5 | Low | 18 Ų | 18 | 77.7 Ų | 77.7 | 19% | 0.186 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1998 T2023 H2028 A2029 L2030 | V1998-G2026 VanDerWaalsContact CG2-CA 3.48Å; V1998-G2026 WeakPolarHBondContact CG2-O 3.5Å; T2023-G2026 PolarHBondContact O-N 3.05Å; G2026-H2028 VanDerWaalsContact C-N 3.3Å; G2026-H2028 PolarHBondContact O-N 3.27Å; G2026-A2029 PolarHBondContact O-N 3.24Å; G2026-L2030 WeakPolarHBondContact O-CG 3.35Å; G2026-L2030 PolarHBondContact O-N 3.08Å |
| 2027 | F | 62.1 | Low | 59.5 | Low | 149 Ų | 149 | 72.3 Ų | 72.3 | 65% | 0.654 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.6 | -31.9 | 177.3 | -79.8 | -79.3 | 0 | 0 | 0 | 113.5 | L2030 R2031 | F2027-L2030 HydrophobicContact CD1-CD1 4.49Å; F2027-R2031 WeakPolarHBondContact O-CB 3.23Å; F2027-R2031 VanDerWaalsContact O-CG 3.32Å; F2027-R2031 WeakPolarHBondContact O-CG 3.34Å; F2027-R2031 PolarHBondContact O-N 2.98Å |
| 2028 | H | 68.7 | Low | 62.4 | Low | 119 Ų | 119 | 67 Ų | 67 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.6 | -43.3 | 176.1 | -168.6 | -84.2 | 0 | 0 | 0 | 111.6 | S2024 H2025 G2026 R2031 Y2032 | S2024-H2028 PolarHBondContact O-N 3.36Å; H2025-H2028 PolarHBondContact O-N 3.44Å; G2026-H2028 VanDerWaalsContact C-N 3.3Å; G2026-H2028 PolarHBondContact O-N 3.27Å; H2028-R2031 WeakPolarHBondContact O-CB 3.49Å; H2028-R2031 PolarHBondContact O-N 2.87Å; H2028-Y2032 PolarHBondContact O-N 3.34Å |
| 2029 | A | 71.3 | Confident | 65.1 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.9 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1989 V1998 H2025 G2026 R2031 Y2032 F2033 | F1989-A2029 HydrophobicContact CE1-CB 3.52Å; F1989-A2029 HydrophobicContact CZ-CB 3.63Å; V1998-A2029 HydrophobicContact CB-CB 4.1Å; V1998-A2029 HydrophobicContact CG2-CB 3.36Å; H2025-A2029 PolarHBondContact O-N 2.7Å; H2025-A2029 VanDerWaalsContact O-N 3.09Å; G2026-A2029 PolarHBondContact O-N 3.24Å; A2029-R2031 VanDerWaalsContact C-N 3.34Å; A2029-R2031 PolarHBondContact O-N 3.48Å; A2029-Y2032 WeakPolarHBondContact O-CB 3.48Å; A2029-Y2032 PolarHBondContact O-N 2.87Å; A2029-F2033 WeakPolarHBondContact O-CD2 3.41Å; A2029-F2033 PolarHBondContact O-N 2.93Å |
| 2030 | L | 75 | Confident | 67.9 | Low | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 171.6 | -62.6 | 171.3 | 0 | 0 | 0 | 111.6 | V1998 V2002 G2026 F2027 Y2032 F2033 Q2034 W2214 I2246 | V1998-L2030 HydrophobicContact CG1-CD2 3.64Å; V1998-L2030 HydrophobicContact CG1-CG 4.19Å; V2002-L2030 HydrophobicContact CG2-CD2 4.45Å; G2026-L2030 WeakPolarHBondContact O-CG 3.35Å; G2026-L2030 PolarHBondContact O-N 3.08Å; F2027-L2030 HydrophobicContact CD1-CD1 4.49Å; L2030-Y2032 VanDerWaalsContact C-N 3.32Å; L2030-Y2032 PolarHBondContact O-N 3.47Å; L2030-F2033 PolarHBondContact O-N 3.49Å; L2030-Q2034 WeakPolarHBondContact O-CG 3.28Å; L2030-Q2034 PolarHBondContact O-N 3.04Å; L2030-Q2034 VanDerWaalsContact O-N 3.1Å; L2030-W2214 HydrophobicContact CD1-CH2 4.47Å; L2030-W2214 HydrophobicContact CD1-CZ2 4.46Å; L2030-W2214 HydrophobicContact CD2-CH2 4.32Å; L2030-I2246 HydrophobicContact CB-CD1 4.24Å; L2030-I2246 HydrophobicContact CD2-CD1 3.52Å; L2030-I2246 HydrophobicContact CG-CD1 4.47Å |
| 2031 | R | 77.9 | Confident | 70.5 | Confident | 175 Ų | 175 | 51.4 Ų | 51.4 | 66% | 0.66 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.9 | -36.8 | 174.7 | -80.6 | -75.5 | -175.1 | 109.1 | -1.9 | 112.6 | F2027 H2028 A2029 A2035 | F2027-R2031 WeakPolarHBondContact O-CB 3.23Å; F2027-R2031 VanDerWaalsContact O-CG 3.32Å; F2027-R2031 WeakPolarHBondContact O-CG 3.34Å; F2027-R2031 PolarHBondContact O-N 2.98Å; H2028-R2031 WeakPolarHBondContact O-CB 3.49Å; H2028-R2031 PolarHBondContact O-N 2.87Å; A2029-R2031 VanDerWaalsContact C-N 3.34Å; A2029-R2031 PolarHBondContact O-N 3.48Å; R2031-A2035 VanDerWaalsContact O-CB 3.29Å; R2031-A2035 WeakPolarHBondContact O-CB 3.45Å; R2031-A2035 PolarHBondContact O-N 3.01Å |
| 2032 | Y | 83.8 | Confident | 72.9 | Confident | 25 Ų | 25 | 46 Ų | 46 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -52.1 | 175.4 | -175.9 | -75.6 | 0 | 0 | 0 | 110.7 | F1989 H2028 A2029 L2030 Q2034 A2035 V2036 V2043 H2048 | F1989-Y2032 HydrophobicContact CB-CD1 3.82Å; F1989-Y2032 HydrophobicContact CB-CE1 3.24Å; F1989-Y2032 AromaticContact CD1-CD1 3.43Å; F1989-Y2032 HydrophobicContact CD1-CD1 3.43Å; F1989-Y2032 VanDerWaalsContact CD1-CD1 3.43Å; F1989-Y2032 AromaticContact CD1-CE1 3.83Å; F1989-Y2032 HydrophobicContact CD1-CE1 3.83Å; F1989-Y2032 AromaticContact CD1-CG 3.96Å; F1989-Y2032 HydrophobicContact CD1-CG 3.96Å; F1989-Y2032 AromaticContact CD2-CD1 3.92Å; F1989-Y2032 HydrophobicContact CD2-CD1 3.92Å; F1989-Y2032 HydrophobicContact CD2-CD2 4.04Å; F1989-Y2032 AromaticContact CD2-CE1 3.79Å; F1989-Y2032 HydrophobicContact CD2-CE1 3.79Å; F1989-Y2032 AromaticContact CD2-CE2 3.87Å; F1989-Y2032 HydrophobicContact CD2-CE2 3.87Å; F1989-Y2032 HydrophobicContact CD2-CG 4.06Å; F1989-Y2032 AromaticContact CD2-CZ 3.75Å; F1989-Y2032 AromaticContact CE1-CD1 3.94Å; F1989-Y2032 HydrophobicContact CE1-CD1 3.94Å; F1989-Y2032 HydrophobicContact CE1-CG 4Å; F1989-Y2032 HydrophobicContact CE2-CD1 4.38Å; F1989-Y2032 HydrophobicContact CE2-CD2 4.07Å; F1989-Y2032 HydrophobicContact CE2-CE2 4.28Å; F1989-Y2032 HydrophobicContact CE2-CG 4.11Å; F1989-Y2032 AromaticContact CG-CD1 3.42Å; F1989-Y2032 HydrophobicContact CG-CD1 3.42Å; F1989-Y2032 VanDerWaalsContact CG-CD1 3.42Å; F1989-Y2032 HydrophobicContact CG-CD2 4.4Å; F1989-Y2032 AromaticContact CG-CE1 3.33Å; F1989-Y2032 HydrophobicContact CG-CE1 3.33Å; F1989-Y2032 HydrophobicContact CG-CE2 4.29Å; F1989-Y2032 AromaticContact CG-CG 3.99Å; F1989-Y2032 HydrophobicContact CG-CG 3.99Å; F1989-Y2032 AromaticContact CG-CZ 3.78Å; F1989-Y2032 HydrophobicContact CZ-CD1 4.39Å; F1989-Y2032 HydrophobicContact CZ-CD2 4.43Å; F1989-Y2032 HydrophobicContact CZ-CG 4.08Å; H2028-Y2032 PolarHBondContact O-N 3.34Å; A2029-Y2032 WeakPolarHBondContact O-CB 3.48Å; A2029-Y2032 PolarHBondContact O-N 2.87Å; L2030-Y2032 VanDerWaalsContact C-N 3.32Å; L2030-Y2032 PolarHBondContact O-N 3.47Å; Y2032-Q2034 PolarHBondContact O-N 3.45Å; Y2032-A2035 PolarHBondContact O-N 3.04Å; Y2032-A2035 VanDerWaalsContact O-N 3.1Å; Y2032-V2036 HydrophobicContact CD1-CG2 3.82Å; Y2032-V2036 HydrophobicContact CE1-CG2 3.51Å; Y2032-V2036 WeakPolarHBondContact O-CG2 3.45Å; Y2032-V2036 PolarHBondContact O-N 3.46Å; Y2032-V2043 HydrophobicContact CD2-CG1 3.95Å; Y2032-V2043 HydrophobicContact CE1-CG1 4.21Å; Y2032-V2043 HydrophobicContact CE2-CG1 3.27Å; Y2032-V2043 VanDerWaalsContact CZ-CG1 3.43Å; Y2032-H2048 AromaticContact CE2-NE2 2.96Å; Y2032-H2048 WeakPolarHBondContact CE2-NE2 3.37Å; Y2032-H2048 AromaticContact CZ-NE2 2.84Å; Y2032-H2048 PolarHBondContact OH-NE2 2.97Å |
| 2033 | F | 85.4 | Confident | 75.2 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 178.9 | -70.8 | -60.4 | 0 | 0 | 0 | 112.2 | Y1986 F1989 Q1990 V1998 A2029 L2030 A2035 V2036 C2037 I2246 | Y1986-F2033 HydrophobicContact CD1-CD1 4.17Å; Y1986-F2033 HydrophobicContact CD1-CE1 4.05Å; Y1986-F2033 AromaticContact CD2-CD1 3.68Å; Y1986-F2033 HydrophobicContact CD2-CD1 3.68Å; Y1986-F2033 HydrophobicContact CD2-CE1 4.36Å; Y1986-F2033 AromaticContact CE1-CD1 3.99Å; Y1986-F2033 HydrophobicContact CE1-CD1 3.99Å; Y1986-F2033 AromaticContact CE1-CE1 3.94Å; Y1986-F2033 HydrophobicContact CE1-CE1 3.94Å; Y1986-F2033 HydrophobicContact CE2-CB 4.01Å; Y1986-F2033 AromaticContact CE2-CD1 3.46Å; Y1986-F2033 HydrophobicContact CE2-CD1 3.46Å; Y1986-F2033 VanDerWaalsContact CE2-CD1 3.46Å; Y1986-F2033 HydrophobicContact CE2-CE1 4.25Å; Y1986-F2033 HydrophobicContact CE2-CG 4.08Å; Y1986-F2033 HydrophobicContact CG-CD1 4.03Å; Y1986-F2033 HydrophobicContact CG-CE1 4.26Å; Y1986-F2033 AromaticContact CZ-CD1 3.63Å; F1989-F2033 HydrophobicContact CD1-CD1 4.27Å; F1989-F2033 HydrophobicContact CD1-CD2 4.46Å; F1989-F2033 AromaticContact CD1-CE1 3.8Å; F1989-F2033 HydrophobicContact CD1-CE1 3.8Å; F1989-F2033 AromaticContact CD1-CE2 4Å; F1989-F2033 HydrophobicContact CD1-CE2 4Å; F1989-F2033 AromaticContact CD1-CZ 3.65Å; F1989-F2033 HydrophobicContact CD1-CZ 3.65Å; F1989-F2033 HydrophobicContact CE1-CD2 4.46Å; F1989-F2033 HydrophobicContact CE1-CE2 4.07Å; F1989-F2033 HydrophobicContact CE1-CZ 4.18Å; Q1990-F2033 HydrophobicContact CB-CE1 4.3Å; Q1990-F2033 HydrophobicContact CB-CZ 4.28Å; V1998-F2033 HydrophobicContact CG1-CE2 4.48Å; A2029-F2033 WeakPolarHBondContact O-CD2 3.41Å; A2029-F2033 PolarHBondContact O-N 2.93Å; L2030-F2033 PolarHBondContact O-N 3.49Å; F2033-A2035 VanDerWaalsContact C-N 3.34Å; F2033-A2035 PolarHBondContact O-N 3.45Å; F2033-V2036 PolarHBondContact O-N 2.85Å; F2033-C2037 PolarHBondContact O-N 2.59Å; F2033-C2037 PolarHBondContact O-SG 3.35Å; F2033-I2246 HydrophobicContact CB-CB 4.25Å; F2033-I2246 HydrophobicContact CB-CD1 4Å; F2033-I2246 HydrophobicContact CB-CG2 3.84Å; F2033-I2246 HydrophobicContact CD2-CD1 4.36Å |
| 2034 | Q | 84.1 | Confident | 76.9 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 174.3 | -69.2 | -173.3 | -58.4 | 0 | 0 | 112.2 | L2030 Y2032 V2036 C2037 N2038 I2246 I2250 | L2030-Q2034 WeakPolarHBondContact O-CG 3.28Å; L2030-Q2034 PolarHBondContact O-N 3.04Å; L2030-Q2034 VanDerWaalsContact O-N 3.1Å; Y2032-Q2034 PolarHBondContact O-N 3.45Å; Q2034-V2036 PolarHBondContact O-N 3.34Å; Q2034-C2037 PolarHBondContact O-N 2.93Å; Q2034-N2038 PolarHBondContact O-N 3.11Å; Q2034-N2038 PolarHBondContact O-ND2 3.33Å; Q2034-I2246 HydrophobicContact CG-CG2 4.16Å; Q2034-I2250 HydrophobicContact CG-CD1 4.33Å; Q2034-I2250 VanDerWaalsContact NE2-CD1 3.27Å |
| 2035 | A | 85.8 | Confident | 78.1 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R2031 Y2032 F2033 N2038 H2039 L2042 V2043 | R2031-A2035 VanDerWaalsContact O-CB 3.29Å; R2031-A2035 WeakPolarHBondContact O-CB 3.45Å; R2031-A2035 PolarHBondContact O-N 3.01Å; Y2032-A2035 PolarHBondContact O-N 3.04Å; Y2032-A2035 VanDerWaalsContact O-N 3.1Å; F2033-A2035 VanDerWaalsContact C-N 3.34Å; F2033-A2035 PolarHBondContact O-N 3.45Å; A2035-N2038 PolarHBondContact O-N 2.73Å; A2035-H2039 CarbonylContact O-C 3.41Å; A2035-H2039 PolarHBondContact O-N 3.26Å; A2035-H2039 VanDerWaalsContact O-O 3.13Å; A2035-L2042 HydrophobicContact CB-CB 4.01Å; A2035-V2043 HydrophobicContact CB-CG2 3.53Å |
| 2036 | V | 86.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 171.6 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | Q1982 L1985 Y1986 Y2032 F2033 Q2034 N2038 V2043 | Q1982-V2036 HydrophobicContact CB-CG1 4.12Å; Q1982-V2036 WeakPolarHBondContact CG-O 3.24Å; Q1982-V2036 PolarHBondContact NE2-O 2.88Å; Q1982-V2036 WeakPolarHBondContact O-CG1 3.25Å; L1985-V2036 HydrophobicContact CB-CG1 4Å; L1985-V2036 HydrophobicContact CB-CG2 4.06Å; Y1986-V2036 HydrophobicContact CD2-CG1 4.39Å; Y2032-V2036 HydrophobicContact CD1-CG2 3.82Å; Y2032-V2036 HydrophobicContact CE1-CG2 3.51Å; Y2032-V2036 WeakPolarHBondContact O-CG2 3.45Å; Y2032-V2036 PolarHBondContact O-N 3.46Å; F2033-V2036 PolarHBondContact O-N 2.85Å; Q2034-V2036 PolarHBondContact O-N 3.34Å; V2036-N2038 VanDerWaalsContact C-N 3.26Å; V2036-N2038 PolarHBondContact O-N 3.36Å; V2036-V2043 HydrophobicContact CG2-CB 4.49Å; V2036-V2043 HydrophobicContact CG2-CG1 4.48Å; V2036-V2043 HydrophobicContact CG2-CG2 3.84Å |
| 2037 | C | 87.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -36.7 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | Q1982 F2033 Q2034 T2242 E2247 | Q1982-C2037 PolarHBondContact NE2-O 3.27Å; F2033-C2037 PolarHBondContact O-N 2.59Å; F2033-C2037 PolarHBondContact O-SG 3.35Å; Q2034-C2037 PolarHBondContact O-N 2.93Å; C2037-T2242 HydrophobicContact CB-CG2 4.36Å; C2037-E2247 HydrophobicContact CB-CG 4.13Å |
| 2038 | N | 86.4 | Confident | 80 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.4 | -62.4 | 175.1 | -72.6 | -31.3 | 0 | 0 | 0 | 112.9 | Q2034 A2035 V2036 L2042 S2072 K2074 M2143 E2211 | Q2034-N2038 PolarHBondContact O-N 3.11Å; Q2034-N2038 PolarHBondContact O-ND2 3.33Å; A2035-N2038 PolarHBondContact O-N 2.73Å; V2036-N2038 VanDerWaalsContact C-N 3.26Å; V2036-N2038 PolarHBondContact O-N 3.36Å; N2038-L2042 HydrophobicContact CB-CD1 3.67Å; N2038-S2072 WeakPolarHBondContact O-CB 3.31Å; N2038-S2072 PolarHBondContact O-OG 3.35Å; N2038-K2074 PolarHBondContact OD1-NZ 3.25Å; N2038-M2143 HydrophobicContact CB-SD 4.29Å; N2038-E2211 WeakPolarHBondContact ND2-CG 3.43Å; N2038-E2211 PolarHBondContact ND2-OE1 3.32Å; N2038-E2211 WeakPolarHBondContact OD1-CG 3.48Å |
| 2039 | H | 87.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -165.4 | 129.2 | -177.2 | -168.1 | -72.6 | 0 | 0 | 0 | 112.3 | A2035 C2041 L2042 L2066 S2072 M2143 L2146 | A2035-H2039 CarbonylContact O-C 3.41Å; A2035-H2039 PolarHBondContact O-N 3.26Å; A2035-H2039 VanDerWaalsContact O-O 3.13Å; H2039-C2041 VanDerWaalsContact C-N 3.3Å; H2039-C2041 VanDerWaalsContact CE1-CB 3.5Å; H2039-C2041 WeakPolarHBondContact CE1-CB 3.35Å; H2039-C2041 WeakPolarHBondContact ND1-CB 3.36Å; H2039-C2041 PolarHBondContact ND1-N 3.12Å; H2039-C2041 PolarHBondContact O-N 3.12Å; H2039-C2041 VanDerWaalsContact O-N 3.11Å; H2039-L2042 HydrophobicContact CB-CD1 4.16Å; H2039-L2042 HydrophobicContact CB-CG 4.19Å; H2039-L2042 WeakPolarHBondContact O-CB 3.38Å; H2039-L2042 PolarHBondContact O-N 3.27Å; H2039-L2066 PolarHBondContact CE1-O 3.01Å; H2039-L2066 VanDerWaalsContact CE1-O 3.32Å; H2039-S2072 WeakPolarHBondContact CD2-CB 3.49Å; H2039-M2143 HydrophobicContact CB-SD 4.35Å; H2039-L2146 HydrophobicContact CB-CD1 4.29Å | ||
| 2040 | P | 84.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -49.8 | -41.8 | -178.7 | -30.2 | 35.4 | 0 | 0 | 0 | 115.4 | I1981 Q1982 L1985 L2042 V2043 L2044 Y2071 | I1981-P2040 HydrophobicContact CG2-CG 3.9Å; Q1982-P2040 HydrophobicContact CG-CG 3.68Å; L1985-P2040 HydrophobicContact CD1-CB 3.86Å; P2040-L2042 PolarHBondContact O-N 3.48Å; P2040-L2042 VanDerWaalsContact O-N 3.11Å; P2040-V2043 PolarHBondContact O-N 3.4Å; P2040-L2044 HydrophobicContact CB-CD1 3.93Å; P2040-L2044 PolarHBondContact O-N 2.96Å; P2040-Y2071 VanDerWaalsContact CD-O 3.32Å; P2040-Y2071 WeakPolarHBondContact CD-O 3.28Å; P2040-Y2071 WeakPolarHBondContact CG-O 3.48Å |
| 2041 | C | 82.6 | Confident | 80.4 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -56.5 | -21.6 | 176.9 | -168.6 | 0 | 0 | 0 | 0 | 115.2 | H2039 V2043 | H2039-C2041 VanDerWaalsContact C-N 3.3Å; H2039-C2041 VanDerWaalsContact CE1-CB 3.5Å; H2039-C2041 WeakPolarHBondContact CE1-CB 3.35Å; H2039-C2041 WeakPolarHBondContact ND1-CB 3.36Å; H2039-C2041 PolarHBondContact ND1-N 3.12Å; H2039-C2041 PolarHBondContact O-N 3.12Å; H2039-C2041 VanDerWaalsContact O-N 3.11Å; C2041-V2043 PolarHBondContact O-N 3.07Å |
| 2042 | L | 83.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -70 | -24.9 | 175.6 | -62.6 | 173.2 | 0 | 0 | 0 | 112 | A2035 N2038 H2039 P2040 K2045 E2142 L2146 | A2035-L2042 HydrophobicContact CB-CB 4.01Å; N2038-L2042 HydrophobicContact CB-CD1 3.67Å; H2039-L2042 HydrophobicContact CB-CD1 4.16Å; H2039-L2042 HydrophobicContact CB-CG 4.19Å; H2039-L2042 WeakPolarHBondContact O-CB 3.38Å; H2039-L2042 PolarHBondContact O-N 3.27Å; P2040-L2042 PolarHBondContact O-N 3.48Å; P2040-L2042 VanDerWaalsContact O-N 3.11Å; L2042-K2045 VanDerWaalsContact O-CE 3.28Å; L2042-K2045 WeakPolarHBondContact O-CE 3.45Å; L2042-E2142 HydrophobicContact CD2-CB 3.56Å; L2042-L2146 HydrophobicContact CD2-CD1 3.95Å; L2042-L2146 HydrophobicContact CG-CD1 4.35Å |
| 2043 | V | 83.8 | Confident | 79.7 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 10% | 0.097 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -40.2 | -177.4 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | Y2032 A2035 V2036 P2040 C2041 K2045 H2048 | Y2032-V2043 HydrophobicContact CD2-CG1 3.95Å; Y2032-V2043 HydrophobicContact CE1-CG1 4.21Å; Y2032-V2043 HydrophobicContact CE2-CG1 3.27Å; Y2032-V2043 VanDerWaalsContact CZ-CG1 3.43Å; A2035-V2043 HydrophobicContact CB-CG2 3.53Å; V2036-V2043 HydrophobicContact CG2-CB 4.49Å; V2036-V2043 HydrophobicContact CG2-CG1 4.48Å; V2036-V2043 HydrophobicContact CG2-CG2 3.84Å; P2040-V2043 PolarHBondContact O-N 3.4Å; C2041-V2043 PolarHBondContact O-N 3.07Å; V2043-K2045 PolarHBondContact O-N 3.06Å; V2043-H2048 VanDerWaalsContact CG1-NE2 3.29Å; V2043-H2048 WeakPolarHBondContact CG1-NE2 3.47Å |
| 2044 | L | 78 | Confident | 79 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -73.5 | 64.5 | 179.1 | -68.8 | 167.7 | 0 | 0 | 0 | 112.4 | I1981 L1985 P2040 H2048 L2051 V2054 M2063 L2066 | I1981-L2044 HydrophobicContact CD1-CD1 4.38Å; L1985-L2044 HydrophobicContact CD1-CD1 4.03Å; L1985-L2044 HydrophobicContact CD1-CD2 4.46Å; L1985-L2044 HydrophobicContact CD1-CG 4.09Å; L1985-L2044 HydrophobicContact CD2-CD2 4.1Å; P2040-L2044 HydrophobicContact CB-CD1 3.93Å; P2040-L2044 PolarHBondContact O-N 2.96Å; L2044-H2048 HydrophobicContact CD2-CB 4.44Å; L2044-L2051 HydrophobicContact CB-CD1 4.25Å; L2044-L2051 HydrophobicContact CD2-CD1 4.32Å; L2044-V2054 HydrophobicContact CD1-CG1 3.87Å; L2044-V2054 HydrophobicContact CD2-CG2 4.35Å; L2044-M2063 WeakPolarHBondContact O-CE 3.3Å; L2044-L2066 HydrophobicContact CD1-CD2 4.28Å | ||
| 2045 | K | 74.9 | Confident | 78.5 | Confident | 117 Ų | 117 | 42.9 Ų | 42.9 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | trans | -78 | 165 | 168.4 | -62.8 | -179.2 | -179.8 | 178.7 | 0 | 109.2 | L2042 V2043 N2047 H2048 | L2042-K2045 VanDerWaalsContact O-CE 3.28Å; L2042-K2045 WeakPolarHBondContact O-CE 3.45Å; V2043-K2045 PolarHBondContact O-N 3.06Å; K2045-N2047 PolarHBondContact O-N 3.04Å; K2045-H2048 WeakPolarHBondContact O-CB 3.43Å; K2045-H2048 PolarHBondContact O-N 3.37Å | ||
| 2046 | S | 66.5 | Low | 77.9 | Confident | 96 Ų | 96 | 49.1 Ų | 49.1 | 67% | 0.671 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -16.8 | -176 | 50.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 2047 | N | 71.6 | Confident | 77.2 | Confident | 148 Ų | 148 | 54.4 Ų | 54.4 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 8.5 | -173.3 | -53.8 | 17.4 | 0 | 0 | 0 | 112.4 | K2045 | K2045-N2047 PolarHBondContact O-N 3.04Š|
| 2048 | H | 76.5 | Confident | 76.2 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | trans | -79.4 | 130.5 | -176.8 | -169 | -77 | 0 | 0 | 0 | 111 | L1985 Y2032 V2043 L2044 K2045 L2050 L2051 | L1985-H2048 VanDerWaalsContact CD2-CE1 3.43Å; L1985-H2048 WeakPolarHBondContact CD2-CE1 3.42Å; Y2032-H2048 AromaticContact CE2-NE2 2.96Å; Y2032-H2048 WeakPolarHBondContact CE2-NE2 3.37Å; Y2032-H2048 AromaticContact CZ-NE2 2.84Å; Y2032-H2048 PolarHBondContact OH-NE2 2.97Å; V2043-H2048 VanDerWaalsContact CG1-NE2 3.29Å; V2043-H2048 WeakPolarHBondContact CG1-NE2 3.47Å; L2044-H2048 HydrophobicContact CD2-CB 4.44Å; K2045-H2048 WeakPolarHBondContact O-CB 3.43Å; K2045-H2048 PolarHBondContact O-N 3.37Å; H2048-L2050 VanDerWaalsContact C-N 3.27Å; H2048-L2050 WeakPolarHBondContact CE1-CB 3.35Å; H2048-L2050 WeakPolarHBondContact CE1-CD1 3.32Å; H2048-L2050 WeakPolarHBondContact CE1-CG 3.32Å; H2048-L2050 PolarHBondContact ND1-N 3.32Å; H2048-L2050 VanDerWaalsContact ND1-N 3.14Å; H2048-L2050 PolarHBondContact O-N 2.8Å; H2048-L2051 HydrophobicContact CB-CB 4.35Å; H2048-L2051 WeakPolarHBondContact O-CB 3.26Å; H2048-L2051 PolarHBondContact O-N 3.44Å | ||
| 2049 | P | 74.6 | Confident | 75.3 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 76% | 0.76 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.5 | -172.2 | 25.2 | -35.2 | 0 | 0 | 0 | 114.1 | L2051 | P2049-L2051 VanDerWaalsContact C-N 3.34Š|
| 2050 | L | 74.6 | Confident | 74.3 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4 | 178.1 | -55.2 | 178.2 | 0 | 0 | 0 | 112.7 | L1985 S1988 H2048 D2052 E2053 V2054 | L1985-L2050 HydrophobicContact CD2-CD1 4.22Å; S1988-L2050 VanDerWaalsContact OG-CD1 3.29Å; S1988-L2050 WeakPolarHBondContact OG-CD1 2.98Å; H2048-L2050 VanDerWaalsContact C-N 3.27Å; H2048-L2050 WeakPolarHBondContact CE1-CB 3.35Å; H2048-L2050 WeakPolarHBondContact CE1-CD1 3.32Å; H2048-L2050 WeakPolarHBondContact CE1-CG 3.32Å; H2048-L2050 PolarHBondContact ND1-N 3.32Å; H2048-L2050 VanDerWaalsContact ND1-N 3.14Å; H2048-L2050 PolarHBondContact O-N 2.8Å; L2050-D2052 PolarHBondContact O-N 3.39Å; L2050-E2053 PolarHBondContact O-N 2.94Å; L2050-V2054 WeakPolarHBondContact O-CB 3.37Å; L2050-V2054 WeakPolarHBondContact O-CG2 3.19Å; L2050-V2054 PolarHBondContact O-N 2.99Å |
| 2051 | L | 73 | Confident | 73.2 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | -176 | 178 | 62.6 | 0 | 0 | 0 | 112.4 | L2044 H2048 P2049 V2054 K2055 M2063 | L2044-L2051 HydrophobicContact CB-CD1 4.25Å; L2044-L2051 HydrophobicContact CD2-CD1 4.32Å; H2048-L2051 HydrophobicContact CB-CB 4.35Å; H2048-L2051 WeakPolarHBondContact O-CB 3.26Å; H2048-L2051 PolarHBondContact O-N 3.44Å; P2049-L2051 VanDerWaalsContact C-N 3.34Å; L2051-V2054 PolarHBondContact O-N 3.35Å; L2051-K2055 HydrophobicContact CD1-CG 4.49Å; L2051-K2055 HydrophobicContact CG-CD 4.45Å; L2051-K2055 WeakPolarHBondContact O-CG 3.28Å; L2051-K2055 PolarHBondContact O-N 3.42Å; L2051-M2063 HydrophobicContact CD1-CE 3.61Å; L2051-M2063 HydrophobicContact CD1-SD 4.32Å; L2051-M2063 HydrophobicContact CD2-CE 3.78Å; L2051-M2063 HydrophobicContact CG-CE 4.36Å |
| 2052 | D | 71.7 | Confident | 72.3 | Confident | 96 Ų | 96 | 70.8 Ų | 70.8 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -76.5 | -32.1 | -176.6 | -65.9 | -29.8 | 0 | 0 | 0 | 111.9 | L2050 K2055 Q2056 | L2050-D2052 PolarHBondContact O-N 3.39Å; D2052-K2055 IonicContact OD1-NZ 3.81Å; D2052-K2055 PolarHBondContact OD1-NZ 3.41Å; D2052-Q2056 VanDerWaalsContact O-CG 3.25Å; D2052-Q2056 WeakPolarHBondContact O-CG 3.42Å; D2052-Q2056 PolarHBondContact O-N 3.22Å; D2052-Q2056 VanDerWaalsContact O-N 3.12Å |
| 2053 | E | 75.1 | Confident | 71.4 | Confident | 91 Ų | 91 | 73.4 Ų | 73.4 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 169.9 | -166 | -171.1 | 151.2 | 0 | 0 | 110.9 | K1984 L2050 K2055 Q2056 E2057 | K1984-E2053 WeakPolarHBondContact CE-OE1 3.41Å; K1984-E2053 IonicContact NZ-OE1 2.64Å; K1984-E2053 PolarHBondContact NZ-OE1 3.11Å; L2050-E2053 PolarHBondContact O-N 2.94Å; E2053-K2055 PolarHBondContact O-N 3.11Å; E2053-Q2056 PolarHBondContact O-N 3.09Å; E2053-E2057 WeakPolarHBondContact O-CB 3.4Å; E2053-E2057 PolarHBondContact O-N 2.83Å |
| 2054 | V | 72.5 | Confident | 70.6 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.012 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.6 | 159 | 0 | 0 | 0 | 0 | 112.5 | I1981 L2044 L2050 L2051 Q2056 E2057 L2058 L2066 | I1981-V2054 HydrophobicContact CD1-CB 4.29Å; I1981-V2054 HydrophobicContact CD1-CG1 3.44Å; I1981-V2054 VanDerWaalsContact CD1-CG1 3.44Å; I1981-V2054 HydrophobicContact CD1-CG2 3.89Å; I1981-V2054 HydrophobicContact CG1-CG2 4.4Å; L2044-V2054 HydrophobicContact CD1-CG1 3.87Å; L2044-V2054 HydrophobicContact CD2-CG2 4.35Å; L2050-V2054 WeakPolarHBondContact O-CB 3.37Å; L2050-V2054 WeakPolarHBondContact O-CG2 3.19Å; L2050-V2054 PolarHBondContact O-N 2.99Å; L2051-V2054 PolarHBondContact O-N 3.35Å; V2054-Q2056 VanDerWaalsContact C-N 3.34Å; V2054-E2057 PolarHBondContact O-N 3.26Å; V2054-L2058 HydrophobicContact CG1-CD1 4Å; V2054-L2058 HydrophobicContact CG1-CG 4.48Å; V2054-L2058 WeakPolarHBondContact O-CB 3.24Å; V2054-L2058 WeakPolarHBondContact O-CG 3.35Å; V2054-L2058 PolarHBondContact O-N 3.25Å; V2054-L2066 HydrophobicContact CG1-CD2 4.37Å |
| 2055 | K | 73.6 | Confident | 69.9 | Low | 69 Ų | 69 | 83.8 Ų | 83.8 | 30% | 0.3 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.7 | -76.5 | 171.6 | -171.6 | 157.8 | 0 | 111.9 | L2051 D2052 E2053 C2059 I2060 | L2051-K2055 HydrophobicContact CD1-CG 4.49Å; L2051-K2055 HydrophobicContact CG-CD 4.45Å; L2051-K2055 WeakPolarHBondContact O-CG 3.28Å; L2051-K2055 PolarHBondContact O-N 3.42Å; D2052-K2055 IonicContact OD1-NZ 3.81Å; D2052-K2055 PolarHBondContact OD1-NZ 3.41Å; E2053-K2055 PolarHBondContact O-N 3.11Å; K2055-C2059 PolarHBondContact O-N 2.84Å; K2055-C2059 VanDerWaalsContact O-N 3.07Å; K2055-I2060 PolarHBondContact O-N 2.96Å; K2055-I2060 VanDerWaalsContact O-N 3.12Å |
| 2056 | Q | 72.6 | Confident | 69.7 | Low | 152 Ų | 152 | 78.2 Ų | 78.2 | 71% | 0.71 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 177 | -72 | 172.2 | 22.4 | 0 | 0 | 111.1 | D2052 E2053 V2054 L2058 C2059 | D2052-Q2056 VanDerWaalsContact O-CG 3.25Å; D2052-Q2056 WeakPolarHBondContact O-CG 3.42Å; D2052-Q2056 PolarHBondContact O-N 3.22Å; D2052-Q2056 VanDerWaalsContact O-N 3.12Å; E2053-Q2056 PolarHBondContact O-N 3.09Å; V2054-Q2056 VanDerWaalsContact C-N 3.34Å; Q2056-L2058 PolarHBondContact O-N 3.12Å; Q2056-C2059 PolarHBondContact O-N 3.26Å |
| 2057 | E | 71.8 | Confident | 69.9 | Low | 111 Ų | 111 | 78.7 Ų | 78.7 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | -179.8 | -171.3 | 171.3 | -145.8 | 0 | 0 | 113.1 | K1984 E2053 V2054 | K1984-E2057 IonicContact NZ-OE1 3.08Å; K1984-E2057 PolarHBondContact NZ-OE1 3.11Å; K1984-E2057 VanDerWaalsContact NZ-OE1 3.14Å; K1984-E2057 IonicContact NZ-OE2 3.21Å; K1984-E2057 PolarHBondContact NZ-OE2 3.46Å; E2053-E2057 WeakPolarHBondContact O-CB 3.4Å; E2053-E2057 PolarHBondContact O-N 2.83Å; V2054-E2057 PolarHBondContact O-N 3.26Å |
| 2058 | L | 66.2 | Low | 69.9 | Low | 42 Ų | 42 | 74.3 Ų | 74.3 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -91.3 | -5.1 | 178.4 | -65.2 | -176.4 | 0 | 0 | 0 | 114.8 | I1981 V2054 Q2056 I2060 L2066 Y2071 | I1981-L2058 HydrophobicContact CD1-CD1 3.69Å; I1981-L2058 HydrophobicContact CD1-CG 4.34Å; V2054-L2058 HydrophobicContact CG1-CD1 4Å; V2054-L2058 HydrophobicContact CG1-CG 4.48Å; V2054-L2058 WeakPolarHBondContact O-CB 3.24Å; V2054-L2058 WeakPolarHBondContact O-CG 3.35Å; V2054-L2058 PolarHBondContact O-N 3.25Å; Q2056-L2058 PolarHBondContact O-N 3.12Å; L2058-I2060 VanDerWaalsContact C-N 3.28Å; L2058-I2060 HydrophobicContact CB-CB 4.36Å; L2058-I2060 HydrophobicContact CB-CD1 3.7Å; L2058-I2060 HydrophobicContact CB-CG1 3.85Å; L2058-I2060 HydrophobicContact CD1-CD1 3.76Å; L2058-I2060 HydrophobicContact CG-CD1 4.4Å; L2058-I2060 PolarHBondContact O-N 3.19Å; L2058-L2066 HydrophobicContact CD1-CD2 3.85Å; L2058-Y2071 HydrophobicContact CD1-CD1 4.24Å; L2058-Y2071 HydrophobicContact CD1-CE1 3.87Å; L2058-Y2071 HydrophobicContact CD2-CD1 4.39Å; L2058-Y2071 HydrophobicContact CD2-CE1 3.66Å; L2058-Y2071 HydrophobicContact CG-CE1 4.37Å |
| 2059 | C | 67.5 | Low | 69.8 | Low | 113 Ų | 113 | 73.3 Ų | 73.3 | 76% | 0.764 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 44.7 | -171.1 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | K2055 Q2056 | K2055-C2059 PolarHBondContact O-N 2.84Å; K2055-C2059 VanDerWaalsContact O-N 3.07Å; Q2056-C2059 PolarHBondContact O-N 3.26Å |
| 2060 | I | 65.4 | Low | 70.1 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | trans | -105.5 | 118.4 | -176.2 | -76.3 | 176.3 | 0 | 0 | 0 | 111.4 | K2055 L2058 S2062 Q2065 L2066 Y2071 | K2055-I2060 PolarHBondContact O-N 2.96Å; K2055-I2060 VanDerWaalsContact O-N 3.12Å; L2058-I2060 VanDerWaalsContact C-N 3.28Å; L2058-I2060 HydrophobicContact CB-CB 4.36Å; L2058-I2060 HydrophobicContact CB-CD1 3.7Å; L2058-I2060 HydrophobicContact CB-CG1 3.85Å; L2058-I2060 HydrophobicContact CD1-CD1 3.76Å; L2058-I2060 HydrophobicContact CG-CD1 4.4Å; L2058-I2060 PolarHBondContact O-N 3.19Å; I2060-S2062 WeakPolarHBondContact CG2-O 3.48Å; I2060-Q2065 HydrophobicContact CD1-CB 4.16Å; I2060-Q2065 HydrophobicContact CG1-CB 4.05Å; I2060-Q2065 HydrophobicContact CG2-CB 3.91Å; I2060-L2066 HydrophobicContact CD1-CD2 4.23Å; I2060-L2066 HydrophobicContact CD1-CG 3.9Å; I2060-L2066 HydrophobicContact CG2-CD1 4.41Å; I2060-L2066 HydrophobicContact CG2-CG 4.22Å; I2060-Y2071 HydrophobicContact CD1-CE2 3.86Å | ||
| 2061 | D | 61.9 | Low | 70.5 | Confident | 162 Ų | 162 | 74.5 Ų | 74.5 | 87% | 0.866 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -81.9 | -27.8 | 175.1 | -70.3 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 2062 | S | 63.1 | Low | 71 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -129.9 | 141 | -173.7 | 88.5 | 0 | 0 | 0 | 0 | 114.7 | I2060 E2064 Q2065 | I2060-S2062 WeakPolarHBondContact CG2-O 3.48Å; S2062-E2064 PolarHBondContact O-N 3.11Å; S2062-Q2065 WeakPolarHBondContact O-CB 3.31Å; S2062-Q2065 PolarHBondContact O-N 3.43Å |
| 2063 | M | 64.9 | Low | 71.7 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16 | 173.7 | -78.8 | -68.5 | -151.3 | 0 | 0 | 113.7 | L2044 L2051 L2066 | L2044-M2063 WeakPolarHBondContact O-CE 3.3Å; L2051-M2063 HydrophobicContact CD1-CE 3.61Å; L2051-M2063 HydrophobicContact CD1-SD 4.32Å; L2051-M2063 HydrophobicContact CD2-CE 3.78Å; L2051-M2063 HydrophobicContact CG-CE 4.36Å; M2063-L2066 HydrophobicContact SD-CD1 3.61Å |
| 2064 | E | 65.6 | Low | 72.4 | Confident | 149 Ų | 149 | 65.8 Ų | 65.8 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -33 | 174.9 | -61.7 | -168.5 | 155.8 | 0 | 0 | 112.4 | S2062 L2066 R2067 | S2062-E2064 PolarHBondContact O-N 3.11Å; E2064-L2066 VanDerWaalsContact C-N 3.29Å; E2064-L2066 PolarHBondContact O-N 3.25Å; E2064-R2067 WeakPolarHBondContact O-CB 3.47Å; E2064-R2067 PolarHBondContact O-N 2.85Å |
| 2065 | Q | 64.2 | Low | 73.1 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -67.9 | -31.7 | 174.4 | -67 | 168.1 | -31.6 | 0 | 0 | 111.2 | I2060 S2062 R2067 T2068 | I2060-Q2065 HydrophobicContact CD1-CB 4.16Å; I2060-Q2065 HydrophobicContact CG1-CB 4.05Å; I2060-Q2065 HydrophobicContact CG2-CB 3.91Å; S2062-Q2065 WeakPolarHBondContact O-CB 3.31Å; S2062-Q2065 PolarHBondContact O-N 3.43Å; Q2065-R2067 PolarHBondContact O-N 2.97Å; Q2065-T2068 VanDerWaalsContact O-CB 3.3Å; Q2065-T2068 WeakPolarHBondContact O-CB 3.48Å; Q2065-T2068 PolarHBondContact O-N 3.23Å; Q2065-T2068 PolarHBondContact O-OG1 2.78Å |
| 2066 | L | 69.9 | Low | 73.8 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -64.9 | -17.3 | 173.4 | -92.9 | 162.6 | 0 | 0 | 0 | 113.8 | H2039 L2044 V2054 L2058 I2060 M2063 E2064 T2068 | H2039-L2066 PolarHBondContact CE1-O 3.01Å; H2039-L2066 VanDerWaalsContact CE1-O 3.32Å; L2044-L2066 HydrophobicContact CD1-CD2 4.28Å; V2054-L2066 HydrophobicContact CG1-CD2 4.37Å; L2058-L2066 HydrophobicContact CD1-CD2 3.85Å; I2060-L2066 HydrophobicContact CD1-CD2 4.23Å; I2060-L2066 HydrophobicContact CD1-CG 3.9Å; I2060-L2066 HydrophobicContact CG2-CD1 4.41Å; I2060-L2066 HydrophobicContact CG2-CG 4.22Å; M2063-L2066 HydrophobicContact SD-CD1 3.61Å; E2064-L2066 VanDerWaalsContact C-N 3.29Å; E2064-L2066 PolarHBondContact O-N 3.25Å; L2066-T2068 PolarHBondContact O-N 3.1Å |
| 2067 | R | 71.6 | Confident | 74.5 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -83.1 | 10.1 | 174.2 | -60.1 | -173.8 | -179.9 | -160.6 | 2.1 | 113.9 | E2064 Q2065 L2146 E2149 | E2064-R2067 WeakPolarHBondContact O-CB 3.47Å; E2064-R2067 PolarHBondContact O-N 2.85Å; Q2065-R2067 PolarHBondContact O-N 2.97Å; R2067-L2146 HydrophobicContact CB-CD2 4.47Å; R2067-L2146 HydrophobicContact CG-CD2 4.2Å; R2067-E2149 IonicContact CZ-OE2 2.65Å; R2067-E2149 VanDerWaalsContact NH1-CD 3.35Å; R2067-E2149 IonicContact NH1-OE1 3.48Å; R2067-E2149 PolarHBondContact NH1-OE1 2.84Å; R2067-E2149 VanDerWaalsContact NH1-OE1 3.15Å; R2067-E2149 IonicContact NH1-OE2 3.77Å; R2067-E2149 PolarHBondContact NH1-OE2 3.17Å |
| 2068 | T | 71.6 | Confident | 75.2 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | trans | -77.1 | 136.9 | -178.4 | -53.8 | 0 | 0 | 0 | 0 | 111 | Q2065 L2066 H2070 Y2071 | Q2065-T2068 VanDerWaalsContact O-CB 3.3Å; Q2065-T2068 WeakPolarHBondContact O-CB 3.48Å; Q2065-T2068 PolarHBondContact O-N 3.23Å; Q2065-T2068 PolarHBondContact O-OG1 2.78Å; L2066-T2068 PolarHBondContact O-N 3.1Å; T2068-H2070 PolarHBondContact O-N 3.33Å; T2068-Y2071 PolarHBondContact O-N 3.44Å; T2068-Y2071 VanDerWaalsContact O-N 3.16Å | ||
| 2069 | V | 74.1 | Confident | 76.1 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -48 | -37 | -176.3 | 179.1 | 0 | 0 | 0 | 0 | 113.6 | Y2071 S2072 L2075 L2076 M2150 | V2069-Y2071 PolarHBondContact O-N 3.38Å; V2069-S2072 PolarHBondContact O-N 3.02Å; V2069-L2075 HydrophobicContact CG1-CB 3.93Å; V2069-L2076 HydrophobicContact CG1-CD2 4.14Å; V2069-L2076 HydrophobicContact CG1-CG 4.36Å; V2069-M2150 HydrophobicContact CG2-CB 4.28Å; V2069-M2150 HydrophobicContact CG2-CG 3.55Å |
| 2070 | H | 80.9 | Confident | 77 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 57% | 0.569 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -57.6 | -17.2 | -177.8 | -60.8 | -62.5 | 0 | 0 | 0 | 115.6 | T2068 | T2068-H2070 PolarHBondContact O-N 3.33Š|
| 2071 | Y | 82.4 | Confident | 77.9 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -92 | -7.1 | -178.6 | -59.9 | -55.8 | 0 | 0 | 0 | 115 | T1979 I1981 P2040 L2058 I2060 T2068 V2069 | T1979-Y2071 PolarHBondContact OG1-O 3.13Å; I1981-Y2071 HydrophobicContact CG2-CD1 4.35Å; P2040-Y2071 VanDerWaalsContact CD-O 3.32Å; P2040-Y2071 WeakPolarHBondContact CD-O 3.28Å; P2040-Y2071 WeakPolarHBondContact CG-O 3.48Å; L2058-Y2071 HydrophobicContact CD1-CD1 4.24Å; L2058-Y2071 HydrophobicContact CD1-CE1 3.87Å; L2058-Y2071 HydrophobicContact CD2-CD1 4.39Å; L2058-Y2071 HydrophobicContact CD2-CE1 3.66Å; L2058-Y2071 HydrophobicContact CG-CE1 4.37Å; I2060-Y2071 HydrophobicContact CD1-CE2 3.86Å; T2068-Y2071 PolarHBondContact O-N 3.44Å; T2068-Y2071 VanDerWaalsContact O-N 3.16Å; V2069-Y2071 PolarHBondContact O-N 3.38Å |
| 2072 | S | 85.3 | Confident | 79 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -118.1 | 122.5 | 175.3 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | N2038 H2039 V2069 K2074 L2075 L2076 | N2038-S2072 WeakPolarHBondContact O-CB 3.31Å; N2038-S2072 PolarHBondContact O-OG 3.35Å; H2039-S2072 WeakPolarHBondContact CD2-CB 3.49Å; V2069-S2072 PolarHBondContact O-N 3.02Å; S2072-K2074 PolarHBondContact O-N 2.99Å; S2072-K2074 PolarHBondContact OG-N 3.02Å; S2072-L2075 PolarHBondContact O-N 2.88Å; S2072-L2075 PolarHBondContact OG-N 2.83Å; S2072-L2075 VanDerWaalsContact OG-N 3.08Å; S2072-L2076 WeakPolarHBondContact O-CG 3.45Å; S2072-L2076 PolarHBondContact O-N 3.1Å | ||
| 2073 | G | 86.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1977 A2077 | K1977-G2073 WeakPolarHBondContact O-CA 3.35Å; G2073-A2077 WeakPolarHBondContact O-CB 3.46Å; G2073-A2077 PolarHBondContact O-N 2.84Å |
| 2074 | K | 89.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 177.1 | -71 | -163 | -176.3 | 180 | 0 | 114.2 | C1976 N2038 S2072 A2077 L2078 V2210 T2242 E2247 | C1976-K2074 HydrophobicContact CB-CG 4.47Å; N2038-K2074 PolarHBondContact OD1-NZ 3.25Å; S2072-K2074 PolarHBondContact O-N 2.99Å; S2072-K2074 PolarHBondContact OG-N 3.02Å; K2074-A2077 PolarHBondContact O-N 3.1Å; K2074-L2078 VanDerWaalsContact O-CB 3.3Å; K2074-L2078 WeakPolarHBondContact O-CB 3.46Å; K2074-L2078 PolarHBondContact O-N 3.47Å; K2074-V2210 HydrophobicContact CD-CG1 4.31Å; K2074-V2210 WeakPolarHBondContact CD-O 3.4Å; K2074-V2210 PolarHBondContact NZ-O 3.12Å; K2074-T2242 VanDerWaalsContact CE-OG1 3.24Å; K2074-T2242 WeakPolarHBondContact CE-OG1 3.49Å; K2074-E2247 WeakPolarHBondContact CE-OE2 3.39Å; K2074-E2247 IonicContact NZ-OE1 3.55Å; K2074-E2247 PolarHBondContact NZ-OE1 2.89Å; K2074-E2247 IonicContact NZ-OE2 2.99Å; K2074-E2247 PolarHBondContact NZ-OE2 2.92Å |
| 2075 | L | 87.8 | Confident | 81 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.8 | -37.9 | 177.2 | -67.7 | -174.9 | 0 | 0 | 0 | 110.9 | V2069 S2072 L2078 C2079 M2143 | V2069-L2075 HydrophobicContact CG1-CB 3.93Å; S2072-L2075 PolarHBondContact O-N 2.88Å; S2072-L2075 PolarHBondContact OG-N 2.83Å; S2072-L2075 VanDerWaalsContact OG-N 3.08Å; L2075-L2078 HydrophobicContact CD2-CD2 4.42Å; L2075-L2078 PolarHBondContact O-N 2.87Å; L2075-C2079 PolarHBondContact O-N 3.31Å; L2075-C2079 PolarHBondContact O-SG 3.46Å; L2075-M2143 HydrophobicContact CD2-CE 3.53Å; L2075-M2143 HydrophobicContact CG-CE 3.92Å |
| 2076 | L | 87.4 | Confident | 81.2 | Confident | 69 Ų | 69 | 40.9 Ų | 40.9 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 171.8 | -75.3 | 167.4 | 0 | 0 | 0 | 112.1 | V2069 S2072 C2079 R2080 | V2069-L2076 HydrophobicContact CG1-CD2 4.14Å; V2069-L2076 HydrophobicContact CG1-CG 4.36Å; S2072-L2076 WeakPolarHBondContact O-CG 3.45Å; S2072-L2076 PolarHBondContact O-N 3.1Å; L2076-C2079 PolarHBondContact O-N 2.68Å; L2076-R2080 PolarHBondContact O-N 2.95Å |
| 2077 | A | 86.7 | Confident | 81.2 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1974 C1976 G2073 K2074 R2080 L2081 L2240 | F1974-A2077 HydrophobicContact CD1-CB 3.97Å; F1974-A2077 HydrophobicContact CE1-CB 3.67Å; C1976-A2077 WeakPolarHBondContact SG-CB 3.29Å; G2073-A2077 WeakPolarHBondContact O-CB 3.46Å; G2073-A2077 PolarHBondContact O-N 2.84Å; K2074-A2077 PolarHBondContact O-N 3.1Å; A2077-R2080 PolarHBondContact O-N 2.98Å; A2077-L2081 VanDerWaalsContact O-CB 3.3Å; A2077-L2081 WeakPolarHBondContact O-CB 3.38Å; A2077-L2081 PolarHBondContact O-N 2.97Å; A2077-L2240 HydrophobicContact CB-CD2 3.67Å |
| 2078 | L | 88.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 176.2 | -178.8 | 65.1 | 0 | 0 | 0 | 112.3 | K2074 L2075 L2081 L2082 I2136 T2147 I2208 V2210 L2240 | K2074-L2078 VanDerWaalsContact O-CB 3.3Å; K2074-L2078 WeakPolarHBondContact O-CB 3.46Å; K2074-L2078 PolarHBondContact O-N 3.47Å; L2075-L2078 HydrophobicContact CD2-CD2 4.42Å; L2075-L2078 PolarHBondContact O-N 2.87Å; L2078-L2081 PolarHBondContact O-N 3.31Å; L2078-L2082 HydrophobicContact CD1-CD1 4.4Å; L2078-L2082 HydrophobicContact CD1-CG 4.39Å; L2078-L2082 HydrophobicContact CG-CD1 4.19Å; L2078-L2082 WeakPolarHBondContact O-CB 3.49Å; L2078-L2082 VanDerWaalsContact O-CG 3.31Å; L2078-L2082 WeakPolarHBondContact O-CG 3.18Å; L2078-L2082 PolarHBondContact O-N 3.47Å; L2078-I2136 HydrophobicContact CD1-CD1 4.41Å; L2078-T2147 HydrophobicContact CD2-CG2 3.53Å; L2078-I2208 HydrophobicContact CD1-CD1 4.12Å; L2078-I2208 HydrophobicContact CD1-CG2 3.82Å; L2078-V2210 HydrophobicContact CD2-CG2 4.29Å; L2078-L2240 HydrophobicContact CB-CD1 4.27Å; L2078-L2240 HydrophobicContact CD1-CD1 4.3Å |
| 2079 | C | 85.5 | Confident | 79.4 | Confident | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.108 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | L2075 L2076 T2083 M2150 Q2154 F2155 | L2075-C2079 PolarHBondContact O-N 3.31Å; L2075-C2079 PolarHBondContact O-SG 3.46Å; L2076-C2079 PolarHBondContact O-N 2.68Å; C2079-T2083 PolarHBondContact O-N 3.48Å; C2079-T2083 VanDerWaalsContact O-N 3.08Å; C2079-T2083 PolarHBondContact O-OG1 2.88Å; C2079-T2083 VanDerWaalsContact O-OG1 3.13Å; C2079-M2150 VanDerWaalsContact SG-CE 3.56Å; C2079-M2150 VanDerWaalsContact SG-SD 3.68Å; C2079-Q2154 PolarHBondContact SG-OE1 2.92Å; C2079-F2155 HydrophobicContact CB-CE2 4.3Å; C2079-F2155 HydrophobicContact CB-CZ 4.49Å |
| 2080 | R | 85.4 | Confident | 77.9 | Confident | 154 Ų | 154 | 43.3 Ų | 43.3 | 58% | 0.581 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.4 | -50.6 | 173.5 | -179.9 | 174.3 | -179.1 | 167.7 | 3.3 | 111 | L2076 A2077 L2082 T2083 D2084 | L2076-R2080 PolarHBondContact O-N 2.95Å; A2077-R2080 PolarHBondContact O-N 2.98Å; R2080-L2082 VanDerWaalsContact C-N 3.35Å; R2080-L2082 PolarHBondContact O-N 2.94Å; R2080-T2083 WeakPolarHBondContact O-CB 3.29Å; R2080-T2083 PolarHBondContact O-N 3.25Å; R2080-T2083 VanDerWaalsContact O-N 3.07Å; R2080-D2084 WeakPolarHBondContact CG-OD2 3.49Å; R2080-D2084 IonicContact NE-OD2 3.19Å; R2080-D2084 WeakPolarHBondContact O-CB 3.31Å; R2080-D2084 VanDerWaalsContact O-CG 3.23Å; R2080-D2084 PolarHBondContact O-N 3.09Å |
| 2081 | L | 84.9 | Confident | 75.7 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 179.4 | -175.2 | 65.5 | 0 | 0 | 0 | 112.6 | F1974 A2077 L2078 T2083 D2084 C2085 I2208 Y2238 | F1974-L2081 HydrophobicContact CD2-CD1 4.34Å; F1974-L2081 HydrophobicContact CE2-CD1 4.37Å; A2077-L2081 VanDerWaalsContact O-CB 3.3Å; A2077-L2081 WeakPolarHBondContact O-CB 3.38Å; A2077-L2081 PolarHBondContact O-N 2.97Å; L2078-L2081 PolarHBondContact O-N 3.31Å; L2081-T2083 VanDerWaalsContact C-N 3.35Å; L2081-T2083 PolarHBondContact O-N 3.09Å; L2081-D2084 PolarHBondContact O-N 3.14Å; L2081-C2085 WeakPolarHBondContact O-CB 3.45Å; L2081-C2085 PolarHBondContact O-N 3.04Å; L2081-C2085 PolarHBondContact O-SG 2.81Å; L2081-I2208 HydrophobicContact CD2-CD1 3.83Å; L2081-I2208 HydrophobicContact CD2-CG1 3.95Å; L2081-I2208 HydrophobicContact CD2-CG2 3.94Å; L2081-I2208 HydrophobicContact CG-CD1 4.39Å; L2081-Y2238 HydrophobicContact CD1-CD1 3.69Å; L2081-Y2238 HydrophobicContact CD1-CD2 4.11Å; L2081-Y2238 HydrophobicContact CD1-CE1 3.65Å; L2081-Y2238 HydrophobicContact CD1-CE2 4.08Å; L2081-Y2238 HydrophobicContact CD1-CG 3.91Å; L2081-Y2238 HydrophobicContact CD2-CD1 4.25Å; L2081-Y2238 HydrophobicContact CD2-CD2 4.04Å; L2081-Y2238 HydrophobicContact CD2-CG 3.74Å; L2081-Y2238 HydrophobicContact CG-CD2 4.47Å; L2081-Y2238 HydrophobicContact CG-CG 4.4Å |
| 2082 | L | 84.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 175 | -72.2 | 171.6 | 0 | 0 | 0 | 112.4 | L2078 R2080 F2087 L2151 F2155 L2187 I2208 | L2078-L2082 HydrophobicContact CD1-CD1 4.4Å; L2078-L2082 HydrophobicContact CD1-CG 4.39Å; L2078-L2082 HydrophobicContact CG-CD1 4.19Å; L2078-L2082 WeakPolarHBondContact O-CB 3.49Å; L2078-L2082 VanDerWaalsContact O-CG 3.31Å; L2078-L2082 WeakPolarHBondContact O-CG 3.18Å; L2078-L2082 PolarHBondContact O-N 3.47Å; R2080-L2082 VanDerWaalsContact C-N 3.35Å; R2080-L2082 PolarHBondContact O-N 2.94Å; L2082-F2087 HydrophobicContact CD2-CD2 3.89Å; L2082-F2087 HydrophobicContact CD2-CE2 4.23Å; L2082-F2087 VanDerWaalsContact O-CB 3.28Å; L2082-F2087 WeakPolarHBondContact O-CB 3.39Å; L2082-F2087 WeakPolarHBondContact O-CD2 3.47Å; L2082-F2087 PolarHBondContact O-N 3.25Å; L2082-L2151 HydrophobicContact CD1-CD2 3.89Å; L2082-F2155 HydrophobicContact CB-CZ 4.36Å; L2082-L2187 HydrophobicContact CD2-CD1 4.43Å; L2082-L2187 HydrophobicContact CD2-CD2 4.17Å; L2082-I2208 HydrophobicContact CD2-CD1 4.24Å |
| 2083 | T | 83 | Confident | 70.7 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 39% | 0.387 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -66.3 | -46.7 | 173.1 | -63 | 0 | 0 | 0 | 0 | 111.4 | C2079 R2080 L2081 C2085 G2086 | C2079-T2083 PolarHBondContact O-N 3.48Å; C2079-T2083 VanDerWaalsContact O-N 3.08Å; C2079-T2083 PolarHBondContact O-OG1 2.88Å; C2079-T2083 VanDerWaalsContact O-OG1 3.13Å; R2080-T2083 WeakPolarHBondContact O-CB 3.29Å; R2080-T2083 PolarHBondContact O-N 3.25Å; R2080-T2083 VanDerWaalsContact O-N 3.07Å; L2081-T2083 VanDerWaalsContact C-N 3.35Å; L2081-T2083 PolarHBondContact O-N 3.09Å; T2083-C2085 VanDerWaalsContact C-N 3.33Å; T2083-C2085 PolarHBondContact O-N 2.85Å; T2083-G2086 PolarHBondContact O-N 3.06Å |
| 2084 | D | 79.5 | Confident | 68.1 | Low | 105 Ų | 105 | 60.3 Ų | 60.3 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -64.2 | -36 | -179.5 | -65 | -15.6 | 0 | 0 | 0 | 111.4 | R2080 L2081 G2086 | R2080-D2084 WeakPolarHBondContact CG-OD2 3.49Å; R2080-D2084 IonicContact NE-OD2 3.19Å; R2080-D2084 WeakPolarHBondContact O-CB 3.31Å; R2080-D2084 VanDerWaalsContact O-CG 3.23Å; R2080-D2084 PolarHBondContact O-N 3.09Å; L2081-D2084 PolarHBondContact O-N 3.14Å; D2084-G2086 PolarHBondContact O-N 3.22Å; D2084-G2086 VanDerWaalsContact O-N 3.12Å |
| 2085 | C | 73 | Confident | 65.3 | Low | 14 Ų | 14 | 63.4 Ų | 63.4 | 10% | 0.095 | 39% | 0.387 | C | S | . | . | I | π-helix | trans | -73.5 | 11.8 | 171.1 | -66.8 | 0 | 0 | 0 | 0 | 114.7 | L2081 T2083 F2087 | L2081-C2085 WeakPolarHBondContact O-CB 3.45Å; L2081-C2085 PolarHBondContact O-N 3.04Å; L2081-C2085 PolarHBondContact O-SG 2.81Å; T2083-C2085 VanDerWaalsContact C-N 3.33Å; T2083-C2085 PolarHBondContact O-N 2.85Å; C2085-F2087 HydrophobicContact CB-CD2 3.83Å; C2085-F2087 HydrophobicContact CB-CE2 3.78Å; C2085-F2087 PolarHBondContact O-N 3.02Å |
| 2086 | G | 67.6 | Low | 62.6 | Low | 59 Ų | 59 | 68.3 Ų | 68.3 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | I | π-helix | trans | 80.7 | 7.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T2083 D2084 G2088 | T2083-G2086 PolarHBondContact O-N 3.06Å; D2084-G2086 PolarHBondContact O-N 3.22Å; D2084-G2086 VanDerWaalsContact O-N 3.12Å; G2086-G2088 PolarHBondContact O-N 3.43Å |
| 2087 | F | 70 | Confident | 59.9 | Low | 9 Ų | 9 | 72.1 Ų | 72.1 | 4% | 0.039 | 44% | 0.443 | C | S | . | . | I | π-helix | trans | -79.5 | 1.3 | 175.6 | -58.2 | -80.7 | 0 | 0 | 0 | 113.5 | L2082 C2085 H2132 A2134 W2157 I2158 D2186 L2187 | L2082-F2087 HydrophobicContact CD2-CD2 3.89Å; L2082-F2087 HydrophobicContact CD2-CE2 4.23Å; L2082-F2087 VanDerWaalsContact O-CB 3.28Å; L2082-F2087 WeakPolarHBondContact O-CB 3.39Å; L2082-F2087 WeakPolarHBondContact O-CD2 3.47Å; L2082-F2087 PolarHBondContact O-N 3.25Å; C2085-F2087 HydrophobicContact CB-CD2 3.83Å; C2085-F2087 HydrophobicContact CB-CE2 3.78Å; C2085-F2087 PolarHBondContact O-N 3.02Å; F2087-H2132 WeakPolarHBondContact CE1-O 3.46Å; F2087-H2132 HydrophobicContact CE2-CB 4.42Å; F2087-H2132 HydrophobicContact CZ-CB 4.06Å; F2087-H2132 WeakPolarHBondContact CZ-O 3.36Å; F2087-A2134 HydrophobicContact CE2-CB 4.27Å; F2087-A2134 HydrophobicContact CZ-CB 4.14Å; F2087-W2157 PolarHBondContact O-NE1 3.33Å; F2087-I2158 HydrophobicContact CB-CD1 3.63Å; F2087-I2158 HydrophobicContact CB-CG1 4.42Å; F2087-I2158 HydrophobicContact CG-CD1 4.36Å; F2087-D2186 HydrophobicContact CD1-CB 4.27Å; F2087-D2186 HydrophobicContact CE1-CB 3.97Å; F2087-L2187 HydrophobicContact CE1-CD2 4.39Å; F2087-L2187 HydrophobicContact CZ-CD2 4.23Å |
| 2088 | G | 53.7 | Low | 57.2 | Low | 19 Ų | 19 | 78.2 Ų | 78.2 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -137.6 | 75 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | G2086 | G2086-G2088 PolarHBondContact O-N 3.43Š|
| 2089 | S | 52.6 | Low | 54.3 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | trans | -175.4 | 135 | 139.1 | -170.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 2090 | P | 42.1 | Very low | 51.6 | Low | 100 Ų | 100 | 86 Ų | 86 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | trans | -83.4 | 115.8 | 158.6 | 32.2 | -28.5 | 0 | 0 | 0 | 111.1 | ||||
| 2091 | N | 35.5 | Very low | 48.8 | Very low | 146 Ų | 146 | 84.2 Ų | 84.2 | 78% | 0.781 | 55% | 0.554 | S | S | * | * | trans | 26.6 | 99.5 | 164 | -68 | -10 | 0 | 0 | 0 | 118.6 | ||||
| 2092 | S | 30.5 | Very low | 46 | Very low | 119 Ų | 119 | 87.5 Ų | 87.5 | 83% | 0.832 | 59% | 0.588 | S | S | * | * | trans | -78.7 | 118 | 156.8 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2093 | I | 31.1 | Very low | 43.3 | Very low | 130 Ų | 130 | 95 Ų | 95 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | trans | -127.7 | 135 | 170 | -70.9 | 178 | 0 | 0 | 0 | 108 | ||||
| 2094 | N | 33 | Very low | 40.6 | Very low | 150 Ų | 150 | 100 Ų | 100 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | trans | 79.9 | 84.4 | 177.4 | -56.2 | -24.2 | 0 | 0 | 0 | 117.8 | ||||
| 2095 | G | 30.3 | Very low | 38 | Very low | 66 Ų | 66 | 105.2 Ų | 105.2 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | 79 | 109.5 | 89.1 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 2096 | S | 29.3 | Very low | 35.8 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | 49.2 | 106.8 | 141.5 | 59.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2097 | N | 31.5 | Very low | 33.8 | Very low | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | -172 | 123.6 | 108 | -94.3 | -26.5 | 0 | 0 | 0 | 114.2 | |||||
| 2098 | V | 29.7 | Very low | 31.7 | Very low | 138 Ų | 138 | 117 Ų | 117 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | 31 | 120.5 | 133 | -171.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2099 | G | 28.3 | Very low | 30.4 | Very low | 61 Ų | 61 | 123.1 Ų | 123.1 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | 107.8 | 98.9 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 2100 | S | 28.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 68.5 | 137.4 | 133.7 | -54.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2101 | S | 27 | Very low | 28.4 | Very low | 118 Ų | 118 | 123 Ų | 123 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 78.4 | 91 | 154.2 | -55 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2102 | G | 25.9 | Very low | 28 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | 63 | 120.7 | 110.8 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 2103 | N | 26.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 122 Ų | 122 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 56.1 | 115.4 | 158.7 | -66.9 | -12.9 | 0 | 0 | 0 | 117.9 | ||||
| 2104 | I | 27.6 | Very low | 27.8 | Very low | 169 Ų | 169 | 118.9 Ų | 118.9 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | 175.6 | 142.7 | 112 | -90 | 153.9 | 0 | 0 | 0 | 109.6 | |||||
| 2105 | Y | 25 | Very low | 27.5 | Very low | 214 Ų | 214 | 118.4 Ų | 118.4 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -68.6 | 154.6 | 173.7 | -78.8 | -98.6 | 0 | 0 | 0 | 112.6 | ||||
| 2106 | S | 25.5 | Very low | 27.4 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 85.3 | 149.4 | 143.5 | 74.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2107 | T | 25.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | 82.9 | 87.8 | 150.1 | 31.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2108 | T | 26.2 | Very low | 27.3 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | 84.3 | 130.5 | 110.8 | 48.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 2109 | L | 26.2 | Very low | 27.3 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 82.4 | 104.6 | 129.4 | -73.8 | 166 | 0 | 0 | 0 | 121 | |||||
| 2110 | S | 26.5 | Very low | 27.3 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | 82.7 | 114.9 | 114.3 | 74.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2111 | S | 26.1 | Very low | 27.4 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 111.9 | 138.9 | 109.3 | 66.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 2112 | T | 26.8 | Very low | 27.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 81.2 | 104.3 | 143.9 | 36.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2113 | S | 26.3 | Very low | 27.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | 109.3 | 142.4 | 104.8 | 71.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 2114 | G | 31.2 | Very low | 27.5 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | 118.5 | 92 | 168 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2115 | T | 27.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | 43.6 | 128.6 | 85 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2116 | S | 27.7 | Very low | 28 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -170.1 | 175.1 | 12.2 | 9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2117 | T | 32.1 | Very low | 28.3 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | cis | -156 | -178.3 | 16.7 | -11.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2118 | S | 27.5 | Very low | 28.7 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -67.1 | 148.7 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2119 | S | 28.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | 179.3 | 127.3 | 115.1 | 60.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 2120 | H | 28.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 126 Ų | 126 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 40.5 | 116.4 | 147.9 | -72.9 | -90.5 | 0 | 0 | 0 | 122.5 | ||||
| 2121 | Y | 30.4 | Very low | 32.3 | Very low | 230 Ų | 230 | 129 Ų | 129 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | -166 | 166.7 | 90.4 | -110.7 | -87.9 | 0 | 0 | 0 | 110 | |||||
| 2122 | M | 26.5 | Very low | 34.7 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | trans | -108.1 | 163.7 | -153.3 | -59.9 | -159.6 | 67.2 | 0 | 0 | 117.5 | ||||
| 2123 | D | 26.9 | Very low | 37.5 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | trans | 71.9 | 86.2 | 149.6 | -57.8 | -27.2 | 0 | 0 | 0 | 121.5 | ||||
| 2124 | S | 28.7 | Very low | 40.5 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | -169.5 | 103.2 | 126.3 | 14.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2125 | Y | 28.6 | Very low | 43.3 | Very low | 221 Ų | 221 | 113.7 Ų | 113.7 | 87% | 0.867 | 63% | 0.628 | S | S | * | * | trans | -98 | 170.2 | 169.9 | -85.2 | -91.3 | 0 | 0 | 0 | 110.5 | ||||
| 2126 | P | 32.8 | Very low | 46.3 | Very low | 113 Ų | 113 | 107.1 Ų | 107.1 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | cis | -128.6 | 163 | -17.4 | 33.8 | -16.8 | 0 | 0 | 0 | 114.6 | ||||
| 2127 | G | 33.4 | Very low | 49.3 | Very low | 64 Ų | 64 | 102.1 Ų | 102.1 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | 60 | 118.6 | 124.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | L2129 | G2127-L2129 PolarHBondContact O-N 3.29Å; G2127-L2129 VanDerWaalsContact O-N 3.09Å | |||
| 2128 | L | 32.8 | Very low | 52.1 | Low | 182 Ų | 182 | 95.8 Ų | 95.8 | 95% | 0.953 | 51% | 0.513 | S | S | * | . | trans | -49.3 | 115.4 | 167.2 | -90.7 | 67.2 | 0 | 0 | 0 | 110.6 | ||||
| 2129 | L | 39.3 | Very low | 54.9 | Low | 140 Ų | 140 | 93.9 Ų | 93.9 | 73% | 0.733 | 49% | 0.493 | S | S | * | . | trans | -63.5 | 139.1 | 169.4 | -73.8 | 115.9 | 0 | 0 | 0 | 109.7 | G2127 Q2131 | G2127-L2129 PolarHBondContact O-N 3.29Å; G2127-L2129 VanDerWaalsContact O-N 3.09Å; L2129-Q2131 PolarHBondContact O-N 3.04Å | ||
| 2130 | S | 50.9 | Low | 57.5 | Low | 45 Ų | 45 | 90.9 Ų | 90.9 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | trans | -51.7 | 127 | 165.4 | 37.1 | 0 | 0 | 0 | 0 | 109 | H2132 D2186 | S2130-H2132 PolarHBondContact O-N 3.09Å; S2130-D2186 PolarHBondContact OG-OD1 3.3Å | ||
| 2131 | Q | 64.2 | Low | 60.2 | Low | 157 Ų | 157 | 89.8 Ų | 89.8 | 73% | 0.734 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -66.1 | -30.7 | -176.9 | -80.8 | -178.2 | -33.1 | 0 | 0 | 111.9 | L2129 R2233 | L2129-Q2131 PolarHBondContact O-N 3.04Å; Q2131-R2233 PolarHBondContact O-NH1 3.5Å |
| 2132 | H | 77.7 | Confident | 62.8 | Low | 61 Ų | 61 | 83.7 Ų | 83.7 | 28% | 0.282 | 44% | 0.44 | S | S | . | . | trans | -119.5 | 159.3 | -171.4 | -63.3 | -55 | 0 | 0 | 0 | 113.7 | F2087 S2130 D2205 | F2087-H2132 WeakPolarHBondContact CE1-O 3.46Å; F2087-H2132 HydrophobicContact CE2-CB 4.42Å; F2087-H2132 HydrophobicContact CZ-CB 4.06Å; F2087-H2132 WeakPolarHBondContact CZ-O 3.36Å; S2130-H2132 PolarHBondContact O-N 3.09Å; H2132-D2205 WeakPolarHBondContact CA-OD1 3.25Å; H2132-D2205 WeakPolarHBondContact CB-OD1 3.34Å; H2132-D2205 IonicContact CG-OD1 3.48Å; H2132-D2205 IonicContact CG-OD2 2.88Å; H2132-D2205 IonicContact ND1-OD1 3.77Å; H2132-D2205 IonicContact ND1-OD2 3.01Å; H2132-D2205 PolarHBondContact ND1-OD2 3.46Å | ||
| 2133 | R | 84.9 | Confident | 65.7 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 10% | 0.098 | 41% | 0.405 | C | S | . | . | trans | -139.1 | 124.2 | 178.3 | -62.6 | -176 | 69.4 | -154 | 11.3 | 109.5 | F2179 D2182 I2185 D2186 G2203 A2204 D2205 T2206 | R2133-F2179 PolarHBondContact NH1-O 3.3Å; R2133-F2179 VanDerWaalsContact NH1-O 3.07Å; R2133-F2179 PolarHBondContact NH2-O 2.79Å; R2133-D2182 PolarHBondContact NH2-O 2.74Å; R2133-I2185 VanDerWaalsContact CZ-O 3.3Å; R2133-I2185 PolarHBondContact NE-O 2.95Å; R2133-I2185 PolarHBondContact NH2-O 3.32Å; R2133-D2186 CarbonylContact C-O 3.54Å; R2133-D2186 WeakPolarHBondContact CA-O 3.38Å; R2133-G2203 WeakPolarHBondContact CD-O 3.45Å; R2133-G2203 PolarHBondContact NH1-O 3.04Å; R2133-A2204 WeakPolarHBondContact O-CA 3.16Å; R2133-A2204 WeakPolarHBondContact O-CB 3.39Å; R2133-D2205 PolarHBondContact N-OD1 3.19Å; R2133-D2205 PolarHBondContact O-N 3.36Å; R2133-D2205 VanDerWaalsContact O-OD1 3.09Å; R2133-T2206 PolarHBondContact O-N 3.14Å; R2133-T2206 VanDerWaalsContact O-N 3.14Å | ||
| 2134 | A | 88.8 | Confident | 68.6 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F2087 D2186 L2187 M2188 T2206 I2208 | F2087-A2134 HydrophobicContact CE2-CB 4.27Å; F2087-A2134 HydrophobicContact CZ-CB 4.14Å; A2134-D2186 PolarHBondContact N-O 3.37Å; A2134-L2187 HydrophobicContact CB-CD2 3.62Å; A2134-L2187 WeakPolarHBondContact O-CA 3.28Å; A2134-M2188 PolarHBondContact O-N 2.82Å; A2134-T2206 CarbonylContact C-O 3.55Å; A2134-T2206 VanDerWaalsContact CA-O 3.25Å; A2134-T2206 WeakPolarHBondContact CA-O 3.22Å; A2134-T2206 HydrophobicContact CB-CG2 3.94Å; A2134-I2208 HydrophobicContact CB-CD1 4.48Å |
| 2135 | L | 91 | Very high | 71.4 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.1 | 166.6 | -55.9 | -174.3 | 0 | 0 | 0 | 109.4 | F2137 F2179 M2188 L2190 L2201 A2204 T2206 V2207 I2208 A2226 | L2135-F2137 HydrophobicContact CB-CE2 4.27Å; L2135-F2137 HydrophobicContact CD1-CE2 4.46Å; L2135-F2137 HydrophobicContact CD1-CZ 4.42Å; L2135-F2179 HydrophobicContact CD2-CE1 3.9Å; L2135-F2179 HydrophobicContact CD2-CZ 3.84Å; L2135-M2188 HydrophobicContact CD2-CB 4.07Å; L2135-M2188 HydrophobicContact CD2-CE 3.82Å; L2135-L2190 HydrophobicContact CB-CD1 3.94Å; L2135-L2190 HydrophobicContact CD1-CD1 4.2Å; L2135-L2190 HydrophobicContact CD2-CD1 3.99Å; L2135-L2190 HydrophobicContact CG-CD1 4.26Å; L2135-L2201 HydrophobicContact CD1-CB 3.85Å; L2135-L2201 HydrophobicContact CD1-CD1 3.68Å; L2135-L2201 HydrophobicContact CD1-CG 4.41Å; L2135-L2201 HydrophobicContact CD2-CD1 4.29Å; L2135-A2204 HydrophobicContact CD1-CB 4.16Å; L2135-A2204 HydrophobicContact CD2-CB 3.8Å; L2135-A2204 HydrophobicContact CG-CB 3.59Å; L2135-T2206 PolarHBondContact N-O 2.96Å; L2135-V2207 HydrophobicContact CB-CG2 4.44Å; L2135-V2207 HydrophobicContact CD1-CG2 4.38Å; L2135-V2207 CarbonylContact O-C 3.57Å; L2135-V2207 WeakPolarHBondContact O-CA 3.31Å; L2135-I2208 PolarHBondContact O-N 2.81Å; L2135-A2226 HydrophobicContact CD1-CB 4.03Å |
| 2136 | I | 91.5 | Very high | 74.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.1 | 176.6 | -47.3 | -177.9 | 0 | 0 | 0 | 109.7 | L2078 F2138 L2187 M2188 L2189 L2190 I2208 V2210 | L2078-I2136 HydrophobicContact CD1-CD1 4.41Å; I2136-F2138 HydrophobicContact CB-CE2 4.03Å; I2136-F2138 HydrophobicContact CB-CZ 4.33Å; I2136-F2138 HydrophobicContact CG2-CE1 4.32Å; I2136-F2138 HydrophobicContact CG2-CE2 3.6Å; I2136-F2138 HydrophobicContact CG2-CZ 3.47Å; I2136-F2138 VanDerWaalsContact CG2-CZ 3.47Å; I2136-L2187 HydrophobicContact CD1-CD1 4.26Å; I2136-L2187 HydrophobicContact CD1-CD2 4.46Å; I2136-M2188 PolarHBondContact N-O 3.03Å; I2136-L2189 HydrophobicContact CB-CD2 3.93Å; I2136-L2189 HydrophobicContact CD1-CD2 3.87Å; I2136-L2189 HydrophobicContact CG1-CD2 4.17Å; I2136-L2190 PolarHBondContact O-N 2.83Å; I2136-I2208 CarbonylContact C-O 3.51Å; I2136-I2208 WeakPolarHBondContact CA-O 3.42Å; I2136-I2208 HydrophobicContact CG1-CB 4.44Å; I2136-I2208 HydrophobicContact CG1-CD1 4.42Å; I2136-I2208 HydrophobicContact CG2-CB 4.42Å; I2136-V2210 HydrophobicContact CG2-CG2 3.66Å |
| 2137 | F | 90.5 | Very high | 76.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.1 | -175.5 | -73.5 | -69.6 | 0 | 0 | 0 | 113.1 | L2135 L2190 V2207 I2208 F2209 V2210 A2222 | L2135-F2137 HydrophobicContact CB-CE2 4.27Å; L2135-F2137 HydrophobicContact CD1-CE2 4.46Å; L2135-F2137 HydrophobicContact CD1-CZ 4.42Å; F2137-L2190 WeakPolarHBondContact CA-O 3.5Å; F2137-L2190 HydrophobicContact CD1-CB 3.61Å; F2137-L2190 HydrophobicContact CD1-CD1 4.24Å; F2137-L2190 HydrophobicContact CE1-CB 3.63Å; F2137-L2190 HydrophobicContact CE1-CD1 3.6Å; F2137-L2190 HydrophobicContact CE1-CG 4.15Å; F2137-L2190 HydrophobicContact CZ-CD1 3.76Å; F2137-V2207 HydrophobicContact CD2-CG1 3.69Å; F2137-V2207 HydrophobicContact CE2-CG1 3.59Å; F2137-I2208 PolarHBondContact N-O 2.79Å; F2137-F2209 HydrophobicContact CB-CD1 3.81Å; F2137-F2209 HydrophobicContact CB-CE1 3.92Å; F2137-F2209 HydrophobicContact CB-CG 4.3Å; F2137-F2209 HydrophobicContact CB-CZ 4.48Å; F2137-F2209 HydrophobicContact CD2-CD1 4.43Å; F2137-F2209 HydrophobicContact CD2-CD2 4.38Å; F2137-F2209 AromaticContact CD2-CE1 3.96Å; F2137-F2209 HydrophobicContact CD2-CE1 3.96Å; F2137-F2209 AromaticContact CD2-CE2 3.89Å; F2137-F2209 HydrophobicContact CD2-CE2 3.89Å; F2137-F2209 AromaticContact CD2-CZ 3.66Å; F2137-F2209 HydrophobicContact CD2-CZ 3.66Å; F2137-F2209 HydrophobicContact CE2-CE2 4.43Å; F2137-F2209 HydrophobicContact CE2-CZ 4.16Å; F2137-F2209 HydrophobicContact CG-CD1 4.4Å; F2137-F2209 HydrophobicContact CG-CE1 4.04Å; F2137-F2209 HydrophobicContact CG-CZ 4.21Å; F2137-V2210 PolarHBondContact O-N 3.46Å; F2137-A2222 HydrophobicContact CD1-CB 4.33Å; F2137-A2222 HydrophobicContact CD2-CB 4.49Å; F2137-A2222 HydrophobicContact CE1-CB 3.93Å; F2137-A2222 HydrophobicContact CE2-CB 4.08Å; F2137-A2222 HydrophobicContact CZ-CB 3.79Å |
| 2138 | F | 90 | Very high | 79 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145.8 | 178.2 | -55.6 | -87.6 | 0 | 0 | 0 | 111.7 | I2136 M2143 L2144 T2147 L2189 L2190 T2191 T2192 V2210 | I2136-F2138 HydrophobicContact CB-CE2 4.03Å; I2136-F2138 HydrophobicContact CB-CZ 4.33Å; I2136-F2138 HydrophobicContact CG2-CE1 4.32Å; I2136-F2138 HydrophobicContact CG2-CE2 3.6Å; I2136-F2138 HydrophobicContact CG2-CZ 3.47Å; I2136-F2138 VanDerWaalsContact CG2-CZ 3.47Å; F2138-M2143 HydrophobicContact CD1-CB 4.08Å; F2138-M2143 HydrophobicContact CD1-CG 3.76Å; F2138-M2143 HydrophobicContact CE1-CG 4.02Å; F2138-L2144 HydrophobicContact CB-CB 4.16Å; F2138-L2144 HydrophobicContact CD1-CB 4.43Å; F2138-L2144 HydrophobicContact CD2-CB 3.8Å; F2138-L2144 HydrophobicContact CD2-CD1 3.89Å; F2138-L2144 HydrophobicContact CD2-CG 3.82Å; F2138-L2144 HydrophobicContact CE2-CB 4.31Å; F2138-L2144 HydrophobicContact CE2-CG 4.14Å; F2138-L2144 HydrophobicContact CG-CB 3.87Å; F2138-L2144 HydrophobicContact CG-CG 4.4Å; F2138-T2147 HydrophobicContact CE1-CG2 4.37Å; F2138-T2147 VanDerWaalsContact CE1-OG1 3.26Å; F2138-T2147 WeakPolarHBondContact CE1-OG1 3.11Å; F2138-T2147 HydrophobicContact CZ-CG2 3.84Å; F2138-T2147 WeakPolarHBondContact CZ-OG1 3.27Å; F2138-L2189 HydrophobicContact CE2-CB 4.32Å; F2138-L2189 HydrophobicContact CE2-CD2 4.19Å; F2138-L2190 WeakPolarHBondContact CD2-O 3.29Å; F2138-L2190 PolarHBondContact N-O 2.88Å; F2138-T2191 CarbonylContact O-C 3.59Å; F2138-T2191 WeakPolarHBondContact O-CA 3.23Å; F2138-T2192 PolarHBondContact O-N 3.17Å; F2138-T2192 PolarHBondContact O-OG1 2.98Å; F2138-V2210 HydrophobicContact CD1-CB 3.9Å; F2138-V2210 HydrophobicContact CD1-CG1 4.17Å; F2138-V2210 HydrophobicContact CD1-CG2 4.24Å; F2138-V2210 HydrophobicContact CE1-CB 3.79Å; F2138-V2210 HydrophobicContact CE1-CG1 3.97Å; F2138-V2210 HydrophobicContact CE1-CG2 3.67Å; F2138-V2210 HydrophobicContact CZ-CG2 4.11Å |
| 2139 | Q | 86.3 | Confident | 81.4 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -88.2 | -34.3 | 168.6 | -65 | -67.3 | -9.3 | 0 | 0 | 111.3 | T2192 E2211 | Q2139-T2192 PolarHBondContact NE2-OG1 3.17Å; Q2139-E2211 HydrophobicContact CB-CB 3.81Å; Q2139-E2211 HydrophobicContact CG-CB 3.64Å; Q2139-E2211 PolarHBondContact N-OE2 2.76Å |
| 2140 | T | 84.1 | Confident | 83.6 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 27% | 0.27 | 19% | 0.188 | S | C | . | . | trans | -107.4 | 135.4 | -176.7 | 64.6 | 0 | 0 | 0 | 0 | 112.8 | E2142 M2143 L2144 E2211 | T2140-E2142 PolarHBondContact O-N 2.82Å; T2140-M2143 PolarHBondContact O-N 2.85Å; T2140-M2143 VanDerWaalsContact OG1-CB 3.29Å; T2140-M2143 WeakPolarHBondContact OG1-CB 3.49Å; T2140-L2144 PolarHBondContact O-N 3.11Å; T2140-E2211 WeakPolarHBondContact CB-OE1 3.45Å; T2140-E2211 VanDerWaalsContact CG2-OE1 3.26Å; T2140-E2211 WeakPolarHBondContact CG2-OE1 3.46Å; T2140-E2211 PolarHBondContact N-OE2 3.48Å; T2140-E2211 PolarHBondContact OG1-OE1 3.04Å; T2140-E2211 PolarHBondContact OG1-OE2 3.32Å | ||
| 2141 | R | 85.8 | Confident | 85.1 | Confident | 140 Ų | 140 | 37.1 Ų | 37.1 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.4 | -26.9 | 177.5 | -163.9 | -174 | 71 | 136.6 | 2.4 | 112.5 | Q2145 | R2141-Q2145 PolarHBondContact O-N 2.97Å; R2141-Q2145 VanDerWaalsContact O-N 3.09Å |
| 2142 | E | 84 | Confident | 85.9 | Confident | 102 Ų | 102 | 37.8 Ų | 37.8 | 48% | 0.477 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.9 | -45.7 | 178.1 | -63.3 | -179.1 | 180 | 0 | 0 | 110.6 | L2042 T2140 Q2145 L2146 | L2042-E2142 HydrophobicContact CD2-CB 3.56Å; T2140-E2142 PolarHBondContact O-N 2.82Å; E2142-Q2145 PolarHBondContact O-N 3.22Å; E2142-L2146 WeakPolarHBondContact O-CG 3.26Å; E2142-L2146 PolarHBondContact O-N 3.4Å |
| 2143 | M | 87.5 | Confident | 86 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.3 | -168.7 | 60.5 | 177 | 0 | 0 | 112.7 | N2038 H2039 L2075 F2138 T2140 Q2145 L2146 T2147 V2210 | N2038-M2143 HydrophobicContact CB-SD 4.29Å; H2039-M2143 HydrophobicContact CB-SD 4.35Å; L2075-M2143 HydrophobicContact CD2-CE 3.53Å; L2075-M2143 HydrophobicContact CG-CE 3.92Å; F2138-M2143 HydrophobicContact CD1-CB 4.08Å; F2138-M2143 HydrophobicContact CD1-CG 3.76Å; F2138-M2143 HydrophobicContact CE1-CG 4.02Å; T2140-M2143 PolarHBondContact O-N 2.85Å; T2140-M2143 VanDerWaalsContact OG1-CB 3.29Å; T2140-M2143 WeakPolarHBondContact OG1-CB 3.49Å; M2143-Q2145 VanDerWaalsContact C-N 3.31Å; M2143-Q2145 PolarHBondContact O-N 3.32Å; M2143-L2146 PolarHBondContact O-N 3.23Å; M2143-L2146 HydrophobicContact SD-CD1 4.43Å; M2143-T2147 PolarHBondContact O-N 3.19Å; M2143-T2147 PolarHBondContact O-OG1 3.47Å; M2143-V2210 HydrophobicContact CE-CG1 3.61Å; M2143-V2210 HydrophobicContact CG-CG1 4.13Å |
| 2144 | L | 88.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 172.4 | -173 | 157.1 | 0 | 0 | 0 | 111.4 | F2138 T2140 G2148 R2162 L2189 T2191 | F2138-L2144 HydrophobicContact CB-CB 4.16Å; F2138-L2144 HydrophobicContact CD1-CB 4.43Å; F2138-L2144 HydrophobicContact CD2-CB 3.8Å; F2138-L2144 HydrophobicContact CD2-CD1 3.89Å; F2138-L2144 HydrophobicContact CD2-CG 3.82Å; F2138-L2144 HydrophobicContact CE2-CB 4.31Å; F2138-L2144 HydrophobicContact CE2-CG 4.14Å; F2138-L2144 HydrophobicContact CG-CB 3.87Å; F2138-L2144 HydrophobicContact CG-CG 4.4Å; T2140-L2144 PolarHBondContact O-N 3.11Å; L2144-G2148 PolarHBondContact O-N 3.04Å; L2144-R2162 HydrophobicContact CD2-CG 3.99Å; L2144-L2189 HydrophobicContact CD1-CB 4.43Å; L2144-L2189 HydrophobicContact CG-CB 4.31Å; L2144-T2191 HydrophobicContact CD1-CG2 3.76Å |
| 2145 | Q | 86.5 | Confident | 85 | Confident | 80 Ų | 80 | 45.2 Ų | 45.2 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.6 | -45.7 | 176.7 | 177.6 | 170.1 | -18.4 | 0 | 0 | 112.1 | R2141 E2142 M2143 T2147 G2148 E2149 | R2141-Q2145 PolarHBondContact O-N 2.97Å; R2141-Q2145 VanDerWaalsContact O-N 3.09Å; E2142-Q2145 PolarHBondContact O-N 3.22Å; M2143-Q2145 VanDerWaalsContact C-N 3.31Å; M2143-Q2145 PolarHBondContact O-N 3.32Å; Q2145-T2147 VanDerWaalsContact C-N 3.29Å; Q2145-T2147 PolarHBondContact O-N 3.4Å; Q2145-G2148 PolarHBondContact O-N 3.05Å; Q2145-E2149 WeakPolarHBondContact CG-OE1 3.38Å; Q2145-E2149 PolarHBondContact NE2-OE1 3.14Å; Q2145-E2149 PolarHBondContact O-N 3.08Å |
| 2146 | L | 85.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57 | -44.2 | 176.2 | -71.3 | 171.7 | 0 | 0 | 0 | 111.3 | H2039 L2042 R2067 E2142 M2143 G2148 E2149 M2150 | H2039-L2146 HydrophobicContact CB-CD1 4.29Å; L2042-L2146 HydrophobicContact CD2-CD1 3.95Å; L2042-L2146 HydrophobicContact CG-CD1 4.35Å; R2067-L2146 HydrophobicContact CB-CD2 4.47Å; R2067-L2146 HydrophobicContact CG-CD2 4.2Å; E2142-L2146 WeakPolarHBondContact O-CG 3.26Å; E2142-L2146 PolarHBondContact O-N 3.4Å; M2143-L2146 PolarHBondContact O-N 3.23Å; M2143-L2146 HydrophobicContact SD-CD1 4.43Å; L2146-G2148 PolarHBondContact O-N 2.82Å; L2146-E2149 PolarHBondContact O-N 3.14Å; L2146-M2150 WeakPolarHBondContact O-CB 3.5Å; L2146-M2150 PolarHBondContact O-N 3.41Å |
| 2147 | T | 85.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 178.2 | -47.3 | 0 | 0 | 0 | 0 | 112.1 | L2078 F2138 M2143 Q2145 E2149 M2150 L2151 | L2078-T2147 HydrophobicContact CD2-CG2 3.53Å; F2138-T2147 HydrophobicContact CE1-CG2 4.37Å; F2138-T2147 VanDerWaalsContact CE1-OG1 3.26Å; F2138-T2147 WeakPolarHBondContact CE1-OG1 3.11Å; F2138-T2147 HydrophobicContact CZ-CG2 3.84Å; F2138-T2147 WeakPolarHBondContact CZ-OG1 3.27Å; M2143-T2147 PolarHBondContact O-N 3.19Å; M2143-T2147 PolarHBondContact O-OG1 3.47Å; Q2145-T2147 VanDerWaalsContact C-N 3.29Å; Q2145-T2147 PolarHBondContact O-N 3.4Å; T2147-E2149 VanDerWaalsContact C-N 3.35Å; T2147-E2149 PolarHBondContact O-N 2.82Å; T2147-M2150 HydrophobicContact CG2-SD 4.16Å; T2147-M2150 WeakPolarHBondContact O-CB 3.4Å; T2147-M2150 PolarHBondContact O-N 2.88Å; T2147-L2151 HydrophobicContact CG2-CD1 4.44Å; T2147-L2151 WeakPolarHBondContact O-CG 3.43Å; T2147-L2151 PolarHBondContact O-N 3.35Å |
| 2148 | G | 84.9 | Confident | 82.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -30.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | L2144 Q2145 L2146 K2152 | L2144-G2148 PolarHBondContact O-N 3.04Å; Q2145-G2148 PolarHBondContact O-N 3.05Å; L2146-G2148 PolarHBondContact O-N 2.82Å; G2148-K2152 WeakPolarHBondContact O-CG 3.22Å |
| 2149 | E | 82.8 | Confident | 82.6 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.8 | -38 | 171.1 | -71.7 | 173.4 | -159.5 | 0 | 0 | 111.3 | R2067 Q2145 L2146 T2147 K2153 | R2067-E2149 IonicContact CZ-OE2 2.65Å; R2067-E2149 VanDerWaalsContact NH1-CD 3.35Å; R2067-E2149 IonicContact NH1-OE1 3.48Å; R2067-E2149 PolarHBondContact NH1-OE1 2.84Å; R2067-E2149 VanDerWaalsContact NH1-OE1 3.15Å; R2067-E2149 IonicContact NH1-OE2 3.77Å; R2067-E2149 PolarHBondContact NH1-OE2 3.17Å; Q2145-E2149 WeakPolarHBondContact CG-OE1 3.38Å; Q2145-E2149 PolarHBondContact NE2-OE1 3.14Å; Q2145-E2149 PolarHBondContact O-N 3.08Å; L2146-E2149 PolarHBondContact O-N 3.14Å; T2147-E2149 VanDerWaalsContact C-N 3.35Å; T2147-E2149 PolarHBondContact O-N 2.82Å; E2149-K2153 WeakPolarHBondContact O-CG 3.4Å; E2149-K2153 PolarHBondContact O-N 2.93Å |
| 2150 | M | 84.7 | Confident | 82.4 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 175.7 | 170.2 | -113.4 | 113.7 | 0 | 0 | 112.5 | V2069 C2079 L2146 T2147 K2152 K2153 Q2154 F2155 | V2069-M2150 HydrophobicContact CG2-CB 4.28Å; V2069-M2150 HydrophobicContact CG2-CG 3.55Å; C2079-M2150 VanDerWaalsContact SG-CE 3.56Å; C2079-M2150 VanDerWaalsContact SG-SD 3.68Å; L2146-M2150 WeakPolarHBondContact O-CB 3.5Å; L2146-M2150 PolarHBondContact O-N 3.41Å; T2147-M2150 HydrophobicContact CG2-SD 4.16Å; T2147-M2150 WeakPolarHBondContact O-CB 3.4Å; T2147-M2150 PolarHBondContact O-N 2.88Å; M2150-K2152 VanDerWaalsContact C-N 3.34Å; M2150-K2152 PolarHBondContact O-N 3.01Å; M2150-K2153 PolarHBondContact O-N 3.2Å; M2150-Q2154 PolarHBondContact O-N 3.16Å; M2150-F2155 HydrophobicContact CE-CD2 3.58Å; M2150-F2155 HydrophobicContact CE-CE2 3.64Å |
| 2151 | L | 82.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 177.7 | -75.6 | 166.6 | 0 | 0 | 0 | 112 | L2082 T2147 K2153 F2155 A2160 L2187 L2189 | L2082-L2151 HydrophobicContact CD1-CD2 3.89Å; T2147-L2151 HydrophobicContact CG2-CD1 4.44Å; T2147-L2151 WeakPolarHBondContact O-CG 3.43Å; T2147-L2151 PolarHBondContact O-N 3.35Å; L2151-K2153 VanDerWaalsContact C-N 3.27Å; L2151-K2153 PolarHBondContact O-N 3.32Å; L2151-F2155 HydrophobicContact CD2-CD2 4.39Å; L2151-F2155 CarbonylContact O-C 3.59Å; L2151-F2155 VanDerWaalsContact O-C 3.22Å; L2151-F2155 WeakPolarHBondContact O-CA 3.29Å; L2151-F2155 PolarHBondContact O-N 3.41Å; L2151-A2160 HydrophobicContact CD1-CB 4.4Å; L2151-L2187 HydrophobicContact CD1-CD1 3.91Å; L2151-L2187 HydrophobicContact CD2-CD1 3.72Å; L2151-L2189 HydrophobicContact CD1-CD1 4.18Å; L2151-L2189 HydrophobicContact CD1-CD2 3.97Å |
| 2152 | K | 82.2 | Confident | 82.6 | Confident | 172 Ų | 172 | 56.3 Ų | 56.3 | 75% | 0.748 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.2 | -28.7 | 176.9 | -72 | 177.9 | 178.5 | -174.8 | 0 | 114.2 | G2148 M2150 | G2148-K2152 WeakPolarHBondContact O-CG 3.22Å; M2150-K2152 VanDerWaalsContact C-N 3.34Å; M2150-K2152 PolarHBondContact O-N 3.01Å |
| 2153 | K | 79.5 | Confident | 82.7 | Confident | 155 Ų | 155 | 51.4 Ų | 51.4 | 67% | 0.674 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -87.7 | -40.4 | -178.2 | -75.6 | -179.2 | 177.4 | -178.2 | 0 | 112.9 | E2149 M2150 L2151 | E2149-K2153 WeakPolarHBondContact O-CG 3.4Å; E2149-K2153 PolarHBondContact O-N 2.93Å; M2150-K2153 PolarHBondContact O-N 3.2Å; L2151-K2153 VanDerWaalsContact C-N 3.27Å; L2151-K2153 PolarHBondContact O-N 3.32Å |
| 2154 | Q | 75.7 | Confident | 82.5 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -101.9 | -28.4 | -172.6 | -72.1 | -176.6 | -28.2 | 0 | 0 | 114.2 | C2079 M2150 P2156 | C2079-Q2154 PolarHBondContact SG-OE1 2.92Å; M2150-Q2154 PolarHBondContact O-N 3.16Å; Q2154-P2156 VanDerWaalsContact C-CD 3.42Å |
| 2155 | F | 77.5 | Confident | 81.8 | Confident | 13 Ų | 13 | 54 Ų | 54 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | trans | -129.6 | 58.4 | -176.8 | -61.3 | -92.1 | 0 | 0 | 0 | 111.8 | C2079 L2082 M2150 L2151 W2157 I2158 | C2079-F2155 HydrophobicContact CB-CE2 4.3Å; C2079-F2155 HydrophobicContact CB-CZ 4.49Å; L2082-F2155 HydrophobicContact CB-CZ 4.36Å; M2150-F2155 HydrophobicContact CE-CD2 3.58Å; M2150-F2155 HydrophobicContact CE-CE2 3.64Å; L2151-F2155 HydrophobicContact CD2-CD2 4.39Å; L2151-F2155 CarbonylContact O-C 3.59Å; L2151-F2155 VanDerWaalsContact O-C 3.22Å; L2151-F2155 WeakPolarHBondContact O-CA 3.29Å; L2151-F2155 PolarHBondContact O-N 3.41Å; F2155-W2157 HydrophobicContact CB-CZ2 4.44Å; F2155-W2157 HydrophobicContact CD1-CH2 4.34Å; F2155-W2157 AromaticContact CD1-CZ2 3.64Å; F2155-W2157 HydrophobicContact CD1-CZ2 3.64Å; F2155-W2157 HydrophobicContact CE1-CZ2 4.39Å; F2155-W2157 HydrophobicContact CG-CZ2 4.41Å; F2155-W2157 PolarHBondContact O-N 3.47Å; F2155-I2158 HydrophobicContact CB-CB 4.32Å; F2155-I2158 HydrophobicContact CB-CD1 3.45Å; F2155-I2158 VanDerWaalsContact CB-CD1 3.45Å; F2155-I2158 HydrophobicContact CB-CG1 3.82Å; F2155-I2158 HydrophobicContact CD1-CD1 3.68Å; F2155-I2158 HydrophobicContact CG-CD1 3.75Å; F2155-I2158 PolarHBondContact O-N 3.25Å | ||
| 2156 | P | 75.3 | Confident | 81.6 | Confident | 95 Ų | 95 | 54.6 Ų | 54.6 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.8 | -172.9 | 27.1 | -36.6 | 0 | 0 | 0 | 115.1 | Q2154 | Q2154-P2156 VanDerWaalsContact C-CD 3.42Š|
| 2157 | W | 77.3 | Confident | 81.3 | Confident | 132 Ų | 132 | 54.1 Ų | 54.1 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.9 | 174.2 | 56.2 | 85.3 | 0 | 0 | 0 | 114 | F2087 F2155 | F2087-W2157 PolarHBondContact O-NE1 3.33Å; F2155-W2157 HydrophobicContact CB-CZ2 4.44Å; F2155-W2157 HydrophobicContact CD1-CH2 4.34Å; F2155-W2157 AromaticContact CD1-CZ2 3.64Å; F2155-W2157 HydrophobicContact CD1-CZ2 3.64Å; F2155-W2157 HydrophobicContact CE1-CZ2 4.39Å; F2155-W2157 HydrophobicContact CG-CZ2 4.41Å; F2155-W2157 PolarHBondContact O-N 3.47Å |
| 2158 | I | 75.8 | Confident | 80.9 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -81 | 128.6 | -177.6 | -62.6 | -178.3 | 0 | 0 | 0 | 110.5 | F2087 F2155 A2160 D2186 L2187 | F2087-I2158 HydrophobicContact CB-CD1 3.63Å; F2087-I2158 HydrophobicContact CB-CG1 4.42Å; F2087-I2158 HydrophobicContact CG-CD1 4.36Å; F2155-I2158 HydrophobicContact CB-CB 4.32Å; F2155-I2158 HydrophobicContact CB-CD1 3.45Å; F2155-I2158 VanDerWaalsContact CB-CD1 3.45Å; F2155-I2158 HydrophobicContact CB-CG1 3.82Å; F2155-I2158 HydrophobicContact CD1-CD1 3.68Å; F2155-I2158 HydrophobicContact CG-CD1 3.75Å; F2155-I2158 PolarHBondContact O-N 3.25Å; I2158-A2160 PolarHBondContact O-N 3.04Å; I2158-D2186 HydrophobicContact CG2-CB 3.77Å; I2158-L2187 HydrophobicContact CG2-CB 4.4Å; I2158-L2187 HydrophobicContact CG2-CD1 3.56Å; I2158-L2187 HydrophobicContact CG2-CG 3.6Å |
| 2159 | T | 82.9 | Confident | 80.1 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | trans | -89.3 | 107.7 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | S2184 I2185 D2186 L2187 | T2159-S2184 VanDerWaalsContact CB-O 3.26Å; T2159-S2184 WeakPolarHBondContact CB-O 3.35Å; T2159-I2185 HydrophobicContact CG2-CB 4.49Å; T2159-I2185 HydrophobicContact CG2-CG1 4.2Å; T2159-D2186 PolarHBondContact N-OD2 2.91Å; T2159-D2186 PolarHBondContact O-N 3.46Å; T2159-D2186 VanDerWaalsContact O-N 3.11Å; T2159-L2187 PolarHBondContact O-N 3.3Å; T2159-L2187 VanDerWaalsContact O-N 3.11Å | ||
| 2160 | A | 83.3 | Confident | 79.6 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2151 I2158 L2187 | L2151-A2160 HydrophobicContact CD1-CB 4.4Å; I2158-A2160 PolarHBondContact O-N 3.04Å; A2160-L2187 WeakPolarHBondContact CA-O 3.33Å; A2160-L2187 HydrophobicContact CB-CB 4.01Å |
| 2161 | T | 86.7 | Confident | 79.2 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 157.8 | 170.1 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | I2185 L2187 M2188 L2189 | T2161-I2185 HydrophobicContact CG2-CD1 4Å; T2161-I2185 HydrophobicContact CG2-CG2 3.71Å; T2161-L2187 PolarHBondContact N-O 3.49Å; T2161-L2187 PolarHBondContact OG1-O 2.99Å; T2161-M2188 WeakPolarHBondContact OG1-CB 3.49Å; T2161-M2188 WeakPolarHBondContact OG1-CG 3.28Å; T2161-L2189 PolarHBondContact O-N 3.04Å |
| 2162 | R | 87.5 | Confident | 78.9 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.8 | -178.4 | 172.7 | 173.9 | 174 | 161.6 | 0.5 | 111.5 | L2144 D2164 R2175 | L2144-R2162 HydrophobicContact CD2-CG 3.99Å; R2162-D2164 IonicContact CZ-OD2 3.45Å; R2162-D2164 IonicContact NE-OD2 2.72Å; R2162-D2164 PolarHBondContact NE-OD2 3.35Å; R2162-D2164 IonicContact NH2-OD2 2.66Å; R2162-D2164 PolarHBondContact NH2-OD2 3.04Å; R2162-R2175 PolarHBondContact O-NH1 3.49Å |
| 2163 | L | 85.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 103.3 | 177.1 | -161.7 | 74.6 | 0 | 0 | 0 | 110.4 | V2167 R2172 R2175 V2176 M2188 L2189 L2190 T2191 V2194 L2199 | L2163-V2167 HydrophobicContact CD1-CG1 4.34Å; L2163-R2172 HydrophobicContact CD1-CB 4.1Å; L2163-R2172 HydrophobicContact CD1-CG 4.04Å; L2163-R2175 HydrophobicContact CD1-CB 4.12Å; L2163-V2176 HydrophobicContact CD2-CG2 3.96Å; L2163-M2188 HydrophobicContact CB-SD 4.44Å; L2163-L2189 PolarHBondContact N-O 2.82Å; L2163-L2190 HydrophobicContact CB-CD2 4Å; L2163-L2190 HydrophobicContact CD2-CD2 3.8Å; L2163-L2190 HydrophobicContact CG-CD2 4.44Å; L2163-T2191 PolarHBondContact O-N 2.96Å; L2163-V2194 HydrophobicContact CB-CG1 4.33Å; L2163-V2194 HydrophobicContact CD2-CG1 3.77Å; L2163-V2194 HydrophobicContact CG-CG1 3.7Å; L2163-L2199 HydrophobicContact CD2-CD1 3.51Å |
| 2164 | D | 81.9 | Confident | 78.5 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | trans | -132.9 | 178.7 | 179 | 72.1 | 22.5 | 0 | 0 | 0 | 111.9 | R2162 T2166 V2167 T2191 | R2162-D2164 IonicContact CZ-OD2 3.45Å; R2162-D2164 IonicContact NE-OD2 2.72Å; R2162-D2164 PolarHBondContact NE-OD2 3.35Å; R2162-D2164 IonicContact NH2-OD2 2.66Å; R2162-D2164 PolarHBondContact NH2-OD2 3.04Å; D2164-T2166 PolarHBondContact O-N 2.85Å; D2164-T2166 VanDerWaalsContact O-N 3.08Å; D2164-T2166 WeakPolarHBondContact OD1-CA 3.19Å; D2164-T2166 WeakPolarHBondContact OD1-CB 3.39Å; D2164-T2166 PolarHBondContact OD1-N 3.03Å; D2164-T2166 PolarHBondContact OD1-OG1 2.87Å; D2164-V2167 PolarHBondContact O-N 3.24Å; D2164-V2167 VanDerWaalsContact O-N 3.13Å; D2164-V2167 PolarHBondContact OD1-N 3.28Å; D2164-T2191 HydrophobicContact CB-CG2 4.06Å | ||
| 2165 | G | 74.7 | Confident | 78.9 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 55% | 0.546 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R2172 | G2165-R2172 PolarHBondContact O-NH2 2.86Š|
| 2166 | T | 81.3 | Confident | 79 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -16 | 178.3 | 70.7 | 0 | 0 | 0 | 0 | 113.4 | D2164 | D2164-T2166 PolarHBondContact O-N 2.85Å; D2164-T2166 VanDerWaalsContact O-N 3.08Å; D2164-T2166 WeakPolarHBondContact OD1-CA 3.19Å; D2164-T2166 WeakPolarHBondContact OD1-CB 3.39Å; D2164-T2166 PolarHBondContact OD1-N 3.03Å; D2164-T2166 PolarHBondContact OD1-OG1 2.87Å |
| 2167 | V | 80.9 | Confident | 79.3 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -68.9 | 128.1 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | L2163 D2164 E2171 R2172 | L2163-V2167 HydrophobicContact CD1-CG1 4.34Å; D2164-V2167 PolarHBondContact O-N 3.24Å; D2164-V2167 VanDerWaalsContact O-N 3.13Å; D2164-V2167 PolarHBondContact OD1-N 3.28Å; V2167-E2171 HydrophobicContact CG1-CB 3.87Å; V2167-R2172 HydrophobicContact CB-CG 4.16Å; V2167-R2172 HydrophobicContact CG1-CG 3.85Å; V2167-R2172 VanDerWaalsContact O-CZ 3.3Å; V2167-R2172 PolarHBondContact O-NE 3Å; V2167-R2172 PolarHBondContact O-NH2 2.92Å |
| 2168 | P | 76.5 | Confident | 79.6 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | trans | -58.1 | 141.4 | 176.4 | -24.3 | 34.1 | 0 | 0 | 0 | 112 | N2170 E2171 R2172 | P2168-N2170 PolarHBondContact O-N 3.48Å; P2168-N2170 VanDerWaalsContact O-N 3.16Å; P2168-E2171 PolarHBondContact O-N 3.49Å; P2168-R2172 PolarHBondContact O-N 2.95Å | ||
| 2169 | V | 67.8 | Low | 80.1 | Confident | 88 Ų | 88 | 61 Ų | 61 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.6 | -41.5 | -175.4 | -178.9 | 0 | 0 | 0 | 0 | 112 | E2171 R2172 | V2169-E2171 VanDerWaalsContact C-N 3.26Å; V2169-E2171 PolarHBondContact O-N 3.27Å; V2169-R2172 PolarHBondContact O-N 3.37Å; V2169-R2172 VanDerWaalsContact O-N 3.13Å |
| 2170 | N | 71.3 | Confident | 80 | Confident | 143 Ų | 143 | 60.4 Ų | 60.4 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.8 | -28.3 | 178.7 | -58.7 | 8.6 | 0 | 0 | 0 | 113.5 | P2168 | P2168-N2170 PolarHBondContact O-N 3.48Å; P2168-N2170 VanDerWaalsContact O-N 3.16Å |
| 2171 | E | 77.2 | Confident | 79.9 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -85.4 | -25.2 | 176 | -75.5 | -171.2 | -160.1 | 0 | 0 | 113.3 | V2167 P2168 V2169 H2173 N2174 R2175 | V2167-E2171 HydrophobicContact CG1-CB 3.87Å; P2168-E2171 PolarHBondContact O-N 3.49Å; V2169-E2171 VanDerWaalsContact C-N 3.26Å; V2169-E2171 PolarHBondContact O-N 3.27Å; E2171-H2173 VanDerWaalsContact C-N 3.33Å; E2171-H2173 PolarHBondContact O-N 3.34Å; E2171-N2174 PolarHBondContact O-N 2.96Å; E2171-N2174 VanDerWaalsContact O-N 3.16Å; E2171-R2175 PolarHBondContact O-N 3.09Å; E2171-R2175 IonicContact OE2-CZ 3.21Å; E2171-R2175 IonicContact OE2-NE 2.73Å; E2171-R2175 PolarHBondContact OE2-NE 2.85Å; E2171-R2175 IonicContact OE2-NH2 3.67Å; E2171-R2175 PolarHBondContact OE2-NH2 2.68Å |
| 2172 | R | 76.1 | Confident | 79.5 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | -172.2 | -66.5 | -178.7 | -169.4 | -178.8 | 2.4 | 111.7 | L2163 G2165 V2167 P2168 V2169 R2175 V2176 | L2163-R2172 HydrophobicContact CD1-CB 4.1Å; L2163-R2172 HydrophobicContact CD1-CG 4.04Å; G2165-R2172 PolarHBondContact O-NH2 2.86Å; V2167-R2172 HydrophobicContact CB-CG 4.16Å; V2167-R2172 HydrophobicContact CG1-CG 3.85Å; V2167-R2172 VanDerWaalsContact O-CZ 3.3Å; V2167-R2172 PolarHBondContact O-NE 3Å; V2167-R2172 PolarHBondContact O-NH2 2.92Å; P2168-R2172 PolarHBondContact O-N 2.95Å; V2169-R2172 PolarHBondContact O-N 3.37Å; V2169-R2172 VanDerWaalsContact O-N 3.13Å; R2172-R2175 PolarHBondContact O-N 3.31Å; R2172-V2176 WeakPolarHBondContact O-CG2 3.35Å; R2172-V2176 PolarHBondContact O-N 3.2Å |
| 2173 | H | 72.9 | Confident | 78.9 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 177.1 | -171.3 | 85 | 0 | 0 | 0 | 111.3 | E2171 R2175 V2176 V2177 | E2171-H2173 VanDerWaalsContact C-N 3.33Å; E2171-H2173 PolarHBondContact O-N 3.34Å; H2173-R2175 VanDerWaalsContact C-N 3.31Å; H2173-R2175 PolarHBondContact O-N 3.26Å; H2173-V2176 PolarHBondContact O-N 3.25Å; H2173-V2176 VanDerWaalsContact O-N 3.13Å; H2173-V2177 WeakPolarHBondContact NE2-CG2 3.3Å; H2173-V2177 WeakPolarHBondContact O-CG2 3.28Å; H2173-V2177 PolarHBondContact O-N 3.1Å |
| 2174 | N | 79.3 | Confident | 78.3 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 57% | 0.572 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61 | -37.1 | 179.1 | -64.9 | -6.8 | 0 | 0 | 0 | 112.8 | E2171 K2178 | E2171-N2174 PolarHBondContact O-N 2.96Å; E2171-N2174 VanDerWaalsContact O-N 3.16Å; N2174-K2178 WeakPolarHBondContact O-CB 3.47Å; N2174-K2178 PolarHBondContact O-N 3.29Å |
| 2175 | R | 84.2 | Confident | 78.3 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 175.3 | -67.3 | -177.9 | -168.8 | -151 | 0.3 | 112.3 | R2162 L2163 E2171 R2172 H2173 K2178 F2179 | R2162-R2175 PolarHBondContact O-NH1 3.49Å; L2163-R2175 HydrophobicContact CD1-CB 4.12Å; E2171-R2175 PolarHBondContact O-N 3.09Å; E2171-R2175 IonicContact OE2-CZ 3.21Å; E2171-R2175 IonicContact OE2-NE 2.73Å; E2171-R2175 PolarHBondContact OE2-NE 2.85Å; E2171-R2175 IonicContact OE2-NH2 3.67Å; E2171-R2175 PolarHBondContact OE2-NH2 2.68Å; R2172-R2175 PolarHBondContact O-N 3.31Å; H2173-R2175 VanDerWaalsContact C-N 3.31Å; H2173-R2175 PolarHBondContact O-N 3.26Å; R2175-K2178 PolarHBondContact O-N 2.98Å; R2175-F2179 PolarHBondContact O-N 3.01Å |
| 2176 | V | 80.9 | Confident | 78.7 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68 | -45.4 | 176.5 | 167.3 | 0 | 0 | 0 | 0 | 111.6 | L2163 R2172 H2173 K2178 F2179 N2180 L2199 N2200 L2201 | L2163-V2176 HydrophobicContact CD2-CG2 3.96Å; R2172-V2176 WeakPolarHBondContact O-CG2 3.35Å; R2172-V2176 PolarHBondContact O-N 3.2Å; H2173-V2176 PolarHBondContact O-N 3.25Å; H2173-V2176 VanDerWaalsContact O-N 3.13Å; V2176-K2178 VanDerWaalsContact C-N 3.32Å; V2176-K2178 PolarHBondContact O-N 3.01Å; V2176-F2179 PolarHBondContact O-N 3.21Å; V2176-N2180 PolarHBondContact O-N 3.24Å; V2176-N2180 PolarHBondContact O-ND2 2.93Å; V2176-L2199 HydrophobicContact CG2-CB 4.42Å; V2176-L2199 HydrophobicContact CG2-CD1 3.93Å; V2176-L2199 HydrophobicContact CG2-CD2 4.18Å; V2176-L2199 HydrophobicContact CG2-CG 4.39Å; V2176-N2200 WeakPolarHBondContact CG1-O 3.42Å; V2176-L2201 HydrophobicContact CB-CD2 4.43Å; V2176-L2201 HydrophobicContact CG1-CD2 3.79Å; V2176-L2201 HydrophobicContact CG2-CD2 4.06Å |
| 2177 | V | 81 | Confident | 79 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 173.4 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | H2173 F2179 N2180 Q2181 | H2173-V2177 WeakPolarHBondContact NE2-CG2 3.3Å; H2173-V2177 WeakPolarHBondContact O-CG2 3.28Å; H2173-V2177 PolarHBondContact O-N 3.1Å; V2177-F2179 PolarHBondContact O-N 2.91Å; V2177-N2180 PolarHBondContact O-N 3.5Å; V2177-Q2181 VanDerWaalsContact CG1-CD 3.48Å; V2177-Q2181 HydrophobicContact CG1-CG 4.23Å; V2177-Q2181 WeakPolarHBondContact O-CB 3.41Å; V2177-Q2181 WeakPolarHBondContact O-CG 3.16Å; V2177-Q2181 PolarHBondContact O-N 3.18Å |
| 2178 | K | 83.5 | Confident | 79.4 | Confident | 116 Ų | 116 | 62.5 Ų | 62.5 | 50% | 0.504 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.1 | -167.5 | -177.3 | -178.5 | -170.1 | 0 | 111.8 | N2174 R2175 V2176 N2180 Q2181 D2182 I2185 | N2174-K2178 WeakPolarHBondContact O-CB 3.47Å; N2174-K2178 PolarHBondContact O-N 3.29Å; R2175-K2178 PolarHBondContact O-N 2.98Å; V2176-K2178 VanDerWaalsContact C-N 3.32Å; V2176-K2178 PolarHBondContact O-N 3.01Å; K2178-N2180 VanDerWaalsContact C-N 3.32Å; K2178-N2180 PolarHBondContact O-N 2.97Å; K2178-Q2181 PolarHBondContact O-N 3.39Å; K2178-D2182 WeakPolarHBondContact CE-OD2 3.21Å; K2178-D2182 HydrophobicContact CG-CB 4.15Å; K2178-D2182 IonicContact NZ-OD2 3.77Å; K2178-D2182 WeakPolarHBondContact O-CB 3.37Å; K2178-D2182 PolarHBondContact O-N 3.18Å; K2178-I2185 HydrophobicContact CD-CD1 4.1Å; K2178-I2185 HydrophobicContact CG-CD1 3.97Å |
| 2179 | F | 85.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 177.8 | -179.7 | -98 | 0 | 0 | 0 | 112.7 | R2133 L2135 R2175 V2176 V2177 I2185 M2188 A2204 | R2133-F2179 PolarHBondContact NH1-O 3.3Å; R2133-F2179 VanDerWaalsContact NH1-O 3.07Å; R2133-F2179 PolarHBondContact NH2-O 2.79Å; L2135-F2179 HydrophobicContact CD2-CE1 3.9Å; L2135-F2179 HydrophobicContact CD2-CZ 3.84Å; R2175-F2179 PolarHBondContact O-N 3.01Å; V2176-F2179 PolarHBondContact O-N 3.21Å; V2177-F2179 PolarHBondContact O-N 2.91Å; F2179-I2185 HydrophobicContact CD2-CB 4.29Å; F2179-I2185 HydrophobicContact CD2-CG2 3.78Å; F2179-I2185 HydrophobicContact CE2-CG2 4.19Å; F2179-M2188 HydrophobicContact CB-SD 4.34Å; F2179-M2188 HydrophobicContact CD1-CE 4.12Å; F2179-M2188 HydrophobicContact CD2-CB 3.93Å; F2179-M2188 HydrophobicContact CE2-CB 3.88Å; F2179-M2188 HydrophobicContact CG-CE 4.15Å; F2179-M2188 HydrophobicContact CG-SD 4.32Å; F2179-M2188 HydrophobicContact CZ-CB 4.44Å; F2179-A2204 HydrophobicContact CE1-CB 3.98Å; F2179-A2204 HydrophobicContact CZ-CB 3.99Å |
| 2180 | N | 81.8 | Confident | 81.1 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.5 | -30.1 | 178.6 | -68.3 | -31.8 | 0 | 0 | 0 | 113.6 | V2176 V2177 K2178 N2200 G2203 | V2176-N2180 PolarHBondContact O-N 3.24Å; V2176-N2180 PolarHBondContact O-ND2 2.93Å; V2177-N2180 PolarHBondContact O-N 3.5Å; K2178-N2180 VanDerWaalsContact C-N 3.32Å; K2178-N2180 PolarHBondContact O-N 2.97Å; N2180-N2200 PolarHBondContact ND2-O 3.21Å; N2180-G2203 PolarHBondContact OD1-N 3.11Å |
| 2181 | Q | 80.3 | Confident | 81.8 | Confident | 148 Ų | 148 | 49.1 Ų | 49.1 | 69% | 0.692 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -88.7 | -31.7 | -178.4 | -71.7 | 177.9 | -13.7 | 0 | 0 | 114.1 | V2177 K2178 P2183 | V2177-Q2181 VanDerWaalsContact CG1-CD 3.48Å; V2177-Q2181 HydrophobicContact CG1-CG 4.23Å; V2177-Q2181 WeakPolarHBondContact O-CB 3.41Å; V2177-Q2181 WeakPolarHBondContact O-CG 3.16Å; V2177-Q2181 PolarHBondContact O-N 3.18Å; K2178-Q2181 PolarHBondContact O-N 3.39Å; Q2181-P2183 VanDerWaalsContact O-CD 3.3Å; Q2181-P2183 WeakPolarHBondContact O-CD 3.44Å |
| 2182 | D | 78.5 | Confident | 81.9 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | trans | -102.9 | 101.7 | -171.6 | -171.8 | -8.7 | 0 | 0 | 0 | 110.3 | R2133 K2178 S2184 I2185 | R2133-D2182 PolarHBondContact NH2-O 2.74Å; K2178-D2182 WeakPolarHBondContact CE-OD2 3.21Å; K2178-D2182 HydrophobicContact CG-CB 4.15Å; K2178-D2182 IonicContact NZ-OD2 3.77Å; K2178-D2182 WeakPolarHBondContact O-CB 3.37Å; K2178-D2182 PolarHBondContact O-N 3.18Å; D2182-S2184 VanDerWaalsContact CG-OG 3.28Å; D2182-S2184 PolarHBondContact O-N 3.34Å; D2182-S2184 VanDerWaalsContact OD1-CB 3.32Å; D2182-S2184 WeakPolarHBondContact OD1-CB 3.36Å; D2182-S2184 PolarHBondContact OD1-N 3.09Å; D2182-S2184 VanDerWaalsContact OD1-N 3.1Å; D2182-S2184 PolarHBondContact OD1-OG 2.91Å; D2182-S2184 PolarHBondContact OD2-OG 2.94Å; D2182-I2185 HydrophobicContact CB-CD1 4.03Å; D2182-I2185 HydrophobicContact CB-CG1 4.38Å; D2182-I2185 PolarHBondContact O-N 3.3Å | ||
| 2183 | P | 74.7 | Confident | 81.7 | Confident | 81 Ų | 81 | 47 Ų | 47 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.8 | -179.7 | 30.5 | -35.8 | 0 | 0 | 0 | 113.2 | Q2181 I2185 | Q2181-P2183 VanDerWaalsContact O-CD 3.3Å; Q2181-P2183 WeakPolarHBondContact O-CD 3.44Å; P2183-I2185 PolarHBondContact O-N 3.06Å |
| 2184 | S | 72.8 | Confident | 81.7 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.9 | 176.8 | 73.1 | 0 | 0 | 0 | 0 | 114 | T2159 D2182 | T2159-S2184 VanDerWaalsContact CB-O 3.26Å; T2159-S2184 WeakPolarHBondContact CB-O 3.35Å; D2182-S2184 VanDerWaalsContact CG-OG 3.28Å; D2182-S2184 PolarHBondContact O-N 3.34Å; D2182-S2184 VanDerWaalsContact OD1-CB 3.32Å; D2182-S2184 WeakPolarHBondContact OD1-CB 3.36Å; D2182-S2184 PolarHBondContact OD1-N 3.09Å; D2182-S2184 VanDerWaalsContact OD1-N 3.1Å; D2182-S2184 PolarHBondContact OD1-OG 2.91Å; D2182-S2184 PolarHBondContact OD2-OG 2.94Å |
| 2185 | I | 82.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -96.9 | 101.6 | 179.8 | -55 | 171.4 | 0 | 0 | 0 | 109.1 | R2133 T2159 T2161 K2178 F2179 D2182 P2183 | R2133-I2185 VanDerWaalsContact CZ-O 3.3Å; R2133-I2185 PolarHBondContact NE-O 2.95Å; R2133-I2185 PolarHBondContact NH2-O 3.32Å; T2159-I2185 HydrophobicContact CG2-CB 4.49Å; T2159-I2185 HydrophobicContact CG2-CG1 4.2Å; T2161-I2185 HydrophobicContact CG2-CD1 4Å; T2161-I2185 HydrophobicContact CG2-CG2 3.71Å; K2178-I2185 HydrophobicContact CD-CD1 4.1Å; K2178-I2185 HydrophobicContact CG-CD1 3.97Å; F2179-I2185 HydrophobicContact CD2-CB 4.29Å; F2179-I2185 HydrophobicContact CD2-CG2 3.78Å; F2179-I2185 HydrophobicContact CE2-CG2 4.19Å; D2182-I2185 HydrophobicContact CB-CD1 4.03Å; D2182-I2185 HydrophobicContact CB-CG1 4.38Å; D2182-I2185 PolarHBondContact O-N 3.3Å; P2183-I2185 PolarHBondContact O-N 3.06Å | ||
| 2186 | D | 82.8 | Confident | 79.6 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | trans | -68.4 | -44.6 | -179.9 | -56.3 | -71.9 | 0 | 0 | 0 | 113 | F2087 S2130 R2133 A2134 I2158 T2159 | F2087-D2186 HydrophobicContact CD1-CB 4.27Å; F2087-D2186 HydrophobicContact CE1-CB 3.97Å; S2130-D2186 PolarHBondContact OG-OD1 3.3Å; R2133-D2186 CarbonylContact C-O 3.54Å; R2133-D2186 WeakPolarHBondContact CA-O 3.38Å; A2134-D2186 PolarHBondContact N-O 3.37Å; I2158-D2186 HydrophobicContact CG2-CB 3.77Å; T2159-D2186 PolarHBondContact N-OD2 2.91Å; T2159-D2186 PolarHBondContact O-N 3.46Å; T2159-D2186 VanDerWaalsContact O-N 3.11Å | ||
| 2187 | L | 88.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.7 | -169.9 | -62.1 | -175 | 0 | 0 | 0 | 113.2 | L2082 F2087 A2134 I2136 L2151 I2158 T2159 A2160 T2161 | L2082-L2187 HydrophobicContact CD2-CD1 4.43Å; L2082-L2187 HydrophobicContact CD2-CD2 4.17Å; F2087-L2187 HydrophobicContact CE1-CD2 4.39Å; F2087-L2187 HydrophobicContact CZ-CD2 4.23Å; A2134-L2187 HydrophobicContact CB-CD2 3.62Å; A2134-L2187 WeakPolarHBondContact O-CA 3.28Å; I2136-L2187 HydrophobicContact CD1-CD1 4.26Å; I2136-L2187 HydrophobicContact CD1-CD2 4.46Å; L2151-L2187 HydrophobicContact CD1-CD1 3.91Å; L2151-L2187 HydrophobicContact CD2-CD1 3.72Å; I2158-L2187 HydrophobicContact CG2-CB 4.4Å; I2158-L2187 HydrophobicContact CG2-CD1 3.56Å; I2158-L2187 HydrophobicContact CG2-CG 3.6Å; T2159-L2187 PolarHBondContact O-N 3.3Å; T2159-L2187 VanDerWaalsContact O-N 3.11Å; A2160-L2187 WeakPolarHBondContact CA-O 3.33Å; A2160-L2187 HydrophobicContact CB-CB 4.01Å; T2161-L2187 PolarHBondContact N-O 3.49Å; T2161-L2187 PolarHBondContact OG1-O 2.99Å |
| 2188 | M | 89.3 | Confident | 77.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.9 | 163.4 | -171.5 | 168.5 | 56.1 | 0 | 0 | 112.4 | A2134 L2135 I2136 T2161 L2163 F2179 L2190 L2201 | A2134-M2188 PolarHBondContact O-N 2.82Å; L2135-M2188 HydrophobicContact CD2-CB 4.07Å; L2135-M2188 HydrophobicContact CD2-CE 3.82Å; I2136-M2188 PolarHBondContact N-O 3.03Å; T2161-M2188 WeakPolarHBondContact OG1-CB 3.49Å; T2161-M2188 WeakPolarHBondContact OG1-CG 3.28Å; L2163-M2188 HydrophobicContact CB-SD 4.44Å; F2179-M2188 HydrophobicContact CB-SD 4.34Å; F2179-M2188 HydrophobicContact CD1-CE 4.12Å; F2179-M2188 HydrophobicContact CD2-CB 3.93Å; F2179-M2188 HydrophobicContact CE2-CB 3.88Å; F2179-M2188 HydrophobicContact CG-CE 4.15Å; F2179-M2188 HydrophobicContact CG-SD 4.32Å; F2179-M2188 HydrophobicContact CZ-CB 4.44Å; M2188-L2190 HydrophobicContact CE-CD1 4.05Å; M2188-L2190 HydrophobicContact CE-CD2 4.09Å; M2188-L2190 HydrophobicContact CE-CG 4.28Å; M2188-L2190 HydrophobicContact CG-CG 4.26Å; M2188-L2201 HydrophobicContact CE-CD1 3.77Å; M2188-L2201 HydrophobicContact CE-CD2 3.47Å; M2188-L2201 VanDerWaalsContact CE-CD2 3.47Å; M2188-L2201 HydrophobicContact CE-CG 4.24Å |
| 2189 | L | 90.4 | Very high | 77 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119 | 178 | -50.2 | -178.2 | 0 | 0 | 0 | 110 | I2136 F2138 L2144 L2151 T2161 L2163 | I2136-L2189 HydrophobicContact CB-CD2 3.93Å; I2136-L2189 HydrophobicContact CD1-CD2 3.87Å; I2136-L2189 HydrophobicContact CG1-CD2 4.17Å; F2138-L2189 HydrophobicContact CE2-CB 4.32Å; F2138-L2189 HydrophobicContact CE2-CD2 4.19Å; L2144-L2189 HydrophobicContact CD1-CB 4.43Å; L2144-L2189 HydrophobicContact CG-CB 4.31Å; L2151-L2189 HydrophobicContact CD1-CD1 4.18Å; L2151-L2189 HydrophobicContact CD1-CD2 3.97Å; T2161-L2189 PolarHBondContact O-N 3.04Å; L2163-L2189 PolarHBondContact N-O 2.82Å |
| 2190 | L | 88.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.5 | -172.5 | -70.4 | 148.7 | 0 | 0 | 0 | 110.3 | L2135 I2136 F2137 F2138 L2163 M2188 V2194 L2201 | L2135-L2190 HydrophobicContact CB-CD1 3.94Å; L2135-L2190 HydrophobicContact CD1-CD1 4.2Å; L2135-L2190 HydrophobicContact CD2-CD1 3.99Å; L2135-L2190 HydrophobicContact CG-CD1 4.26Å; I2136-L2190 PolarHBondContact O-N 2.83Å; F2137-L2190 WeakPolarHBondContact CA-O 3.5Å; F2137-L2190 HydrophobicContact CD1-CB 3.61Å; F2137-L2190 HydrophobicContact CD1-CD1 4.24Å; F2137-L2190 HydrophobicContact CE1-CB 3.63Å; F2137-L2190 HydrophobicContact CE1-CD1 3.6Å; F2137-L2190 HydrophobicContact CE1-CG 4.15Å; F2137-L2190 HydrophobicContact CZ-CD1 3.76Å; F2138-L2190 WeakPolarHBondContact CD2-O 3.29Å; F2138-L2190 PolarHBondContact N-O 2.88Å; L2163-L2190 HydrophobicContact CB-CD2 4Å; L2163-L2190 HydrophobicContact CD2-CD2 3.8Å; L2163-L2190 HydrophobicContact CG-CD2 4.44Å; M2188-L2190 HydrophobicContact CE-CD1 4.05Å; M2188-L2190 HydrophobicContact CE-CD2 4.09Å; M2188-L2190 HydrophobicContact CE-CG 4.28Å; M2188-L2190 HydrophobicContact CG-CG 4.26Å; L2190-V2194 HydrophobicContact CD2-CG1 4.49Å; L2190-L2201 HydrophobicContact CD1-CD1 3.97Å; L2190-L2201 HydrophobicContact CD2-CD1 4.4Å |
| 2191 | T | 86.3 | Confident | 76.5 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 144.3 | 158.8 | 57.3 | 0 | 0 | 0 | 0 | 110 | F2138 L2144 L2163 D2164 A2193 V2194 G2195 | F2138-T2191 CarbonylContact O-C 3.59Å; F2138-T2191 WeakPolarHBondContact O-CA 3.23Å; L2144-T2191 HydrophobicContact CD1-CG2 3.76Å; L2163-T2191 PolarHBondContact O-N 2.96Å; D2164-T2191 HydrophobicContact CB-CG2 4.06Å; T2191-A2193 PolarHBondContact O-N 3.18Å; T2191-V2194 CarbonylContact O-C 3.21Å; T2191-V2194 VanDerWaalsContact O-CA 3.27Å; T2191-V2194 WeakPolarHBondContact O-CA 3.44Å; T2191-V2194 WeakPolarHBondContact O-CB 3.42Å; T2191-V2194 PolarHBondContact O-N 2.9Å; T2191-V2194 WeakPolarHBondContact OG1-CB 3.31Å; T2191-V2194 WeakPolarHBondContact OG1-CG2 3.42Å; T2191-G2195 PolarHBondContact O-N 3.27Å |
| 2192 | T | 80.3 | Confident | 76.6 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.3 | -35.6 | -177.4 | -39.1 | 0 | 0 | 0 | 0 | 111.8 | F2138 Q2139 V2194 G2195 G2196 F2209 A2222 | F2138-T2192 PolarHBondContact O-N 3.17Å; F2138-T2192 PolarHBondContact O-OG1 2.98Å; Q2139-T2192 PolarHBondContact NE2-OG1 3.17Å; T2192-V2194 PolarHBondContact O-N 3.38Å; T2192-G2195 PolarHBondContact O-N 3.49Å; T2192-G2195 VanDerWaalsContact O-N 3.1Å; T2192-G2196 PolarHBondContact O-N 3.14Å; T2192-F2209 HydrophobicContact CG2-CE1 4.35Å; T2192-A2222 HydrophobicContact CG2-CB 4.1Å |
| 2193 | A | 72 | Confident | 76.8 | Confident | 75 Ų | 75 | 22.8 Ų | 22.8 | 62% | 0.62 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -58.7 | -28.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T2191 L2197 | T2191-A2193 PolarHBondContact O-N 3.18Å; A2193-L2197 VanDerWaalsContact O-CD2 3.29Å; A2193-L2197 WeakPolarHBondContact O-CD2 3.21Å |
| 2194 | V | 72.4 | Confident | 77.3 | Confident | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -93.2 | -21 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | L2163 L2190 T2191 T2192 L2197 L2199 | L2163-V2194 HydrophobicContact CB-CG1 4.33Å; L2163-V2194 HydrophobicContact CD2-CG1 3.77Å; L2163-V2194 HydrophobicContact CG-CG1 3.7Å; L2190-V2194 HydrophobicContact CD2-CG1 4.49Å; T2191-V2194 CarbonylContact O-C 3.21Å; T2191-V2194 VanDerWaalsContact O-CA 3.27Å; T2191-V2194 WeakPolarHBondContact O-CA 3.44Å; T2191-V2194 WeakPolarHBondContact O-CB 3.42Å; T2191-V2194 PolarHBondContact O-N 2.9Å; T2191-V2194 WeakPolarHBondContact OG1-CB 3.31Å; T2191-V2194 WeakPolarHBondContact OG1-CG2 3.42Å; T2192-V2194 PolarHBondContact O-N 3.38Å; V2194-L2197 HydrophobicContact CB-CD1 4Å; V2194-L2197 HydrophobicContact CB-CG 4.49Å; V2194-L2197 HydrophobicContact CG1-CD1 3.69Å; V2194-L2197 HydrophobicContact CG2-CD1 4.15Å; V2194-L2197 WeakPolarHBondContact O-CD1 3.47Å; V2194-L2197 WeakPolarHBondContact O-CG 3.44Å; V2194-L2199 WeakPolarHBondContact O-CD1 3.39Å |
| 2195 | G | 61.8 | Low | 78 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T2191 T2192 L2197 R2225 | T2191-G2195 PolarHBondContact O-N 3.27Å; T2192-G2195 PolarHBondContact O-N 3.49Å; T2192-G2195 VanDerWaalsContact O-N 3.1Å; G2195-L2197 PolarHBondContact O-N 2.96Å; G2195-L2197 VanDerWaalsContact O-N 3.12Å; G2195-R2225 VanDerWaalsContact O-CG 3.28Å; G2195-R2225 WeakPolarHBondContact O-CG 3.43Å; G2195-R2225 PolarHBondContact O-NE 3.34Å |
| 2196 | G | 57.4 | Low | 78.3 | Confident | 20 Ų | 20 | 15.9 Ų | 15.9 | 21% | 0.206 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T2192 G2198 R2225 | T2192-G2196 PolarHBondContact O-N 3.14Å; G2196-G2198 PolarHBondContact O-N 2.8Å; G2196-R2225 PolarHBondContact O-NH2 3.2Å |
| 2197 | L | 59 | Low | 78.6 | Confident | 15 Ų | 15 | 15 Ų | 15 | 8% | 0.079 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -74 | 25.4 | -167.1 | -39.4 | 168.7 | 0 | 0 | 0 | 116.2 | T1790 L1791 A2193 V2194 G2195 L2199 | T1790-L2197 HydrophobicContact CG2-CD2 3.21Å; L1791-L2197 WeakPolarHBondContact CD2-O 3.45Å; A2193-L2197 VanDerWaalsContact O-CD2 3.29Å; A2193-L2197 WeakPolarHBondContact O-CD2 3.21Å; V2194-L2197 HydrophobicContact CB-CD1 4Å; V2194-L2197 HydrophobicContact CB-CG 4.49Å; V2194-L2197 HydrophobicContact CG1-CD1 3.69Å; V2194-L2197 HydrophobicContact CG2-CD1 4.15Å; V2194-L2197 WeakPolarHBondContact O-CD1 3.47Å; V2194-L2197 WeakPolarHBondContact O-CG 3.44Å; G2195-L2197 PolarHBondContact O-N 2.96Å; G2195-L2197 VanDerWaalsContact O-N 3.12Å; L2197-L2199 VanDerWaalsContact C-N 3.3Å; L2197-L2199 HydrophobicContact CB-CD2 4.38Å; L2197-L2199 HydrophobicContact CB-CG 4.27Å; L2197-L2199 PolarHBondContact O-N 3.46Å |
| 2198 | G | 60.2 | Low | 78.8 | Confident | 6 Ų | 6 | 15 Ų | 15 | 6% | 0.062 | 11% | 0.105 | C | C | . | . | trans | 80.5 | 0.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | G2196 R2225 R2228 | G2196-G2198 PolarHBondContact O-N 2.8Å; G2198-R2225 VanDerWaalsContact CA-CZ 3.46Å; G2198-R2228 PolarHBondContact O-NH1 2.89Å | ||
| 2199 | L | 71.7 | Confident | 78.9 | Confident | 23 Ų | 23 | 15 Ų | 15 | 12% | 0.12 | 11% | 0.105 | C | C | . | . | trans | -61.6 | 134.3 | -169.7 | -51.1 | 178.7 | 0 | 0 | 0 | 112.8 | L2163 V2176 V2194 L2197 L2201 R2225 | L2163-L2199 HydrophobicContact CD2-CD1 3.51Å; V2176-L2199 HydrophobicContact CG2-CB 4.42Å; V2176-L2199 HydrophobicContact CG2-CD1 3.93Å; V2176-L2199 HydrophobicContact CG2-CD2 4.18Å; V2176-L2199 HydrophobicContact CG2-CG 4.39Å; V2194-L2199 WeakPolarHBondContact O-CD1 3.39Å; L2197-L2199 VanDerWaalsContact C-N 3.3Å; L2197-L2199 HydrophobicContact CB-CD2 4.38Å; L2197-L2199 HydrophobicContact CB-CG 4.27Å; L2197-L2199 PolarHBondContact O-N 3.46Å; L2199-L2201 HydrophobicContact CB-CD1 4.44Å; L2199-L2201 HydrophobicContact CB-CD2 4.3Å; L2199-L2201 HydrophobicContact CB-CG 4.13Å; L2199-R2225 WeakPolarHBondContact O-CB 3.41Å; L2199-R2225 WeakPolarHBondContact O-CD 3.45Å | ||
| 2200 | N | 75.8 | Confident | 78.9 | Confident | 67 Ų | 67 | 14.6 Ų | 14.6 | 36% | 0.358 | 10% | 0.103 | S | C | . | . | trans | -86.3 | 111.7 | 170.9 | -71.5 | -25 | 0 | 0 | 0 | 109.2 | V2176 N2180 R2228 | V2176-N2200 WeakPolarHBondContact CG1-O 3.42Å; N2180-N2200 PolarHBondContact ND2-O 3.21Å; N2200-R2228 VanDerWaalsContact OD1-CD 3.28Å; N2200-R2228 WeakPolarHBondContact OD1-CD 3.33Å; N2200-R2228 PolarHBondContact OD1-NE 2.8Å; N2200-R2228 PolarHBondContact OD1-NH1 3.46Å | ||
| 2201 | L | 81.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -121.7 | 37.5 | -175.6 | -58.7 | -178.7 | 0 | 0 | 0 | 112.1 | L2135 V2176 M2188 L2190 L2199 G2203 A2204 R2225 | L2135-L2201 HydrophobicContact CD1-CB 3.85Å; L2135-L2201 HydrophobicContact CD1-CD1 3.68Å; L2135-L2201 HydrophobicContact CD1-CG 4.41Å; L2135-L2201 HydrophobicContact CD2-CD1 4.29Å; V2176-L2201 HydrophobicContact CB-CD2 4.43Å; V2176-L2201 HydrophobicContact CG1-CD2 3.79Å; V2176-L2201 HydrophobicContact CG2-CD2 4.06Å; M2188-L2201 HydrophobicContact CE-CD1 3.77Å; M2188-L2201 HydrophobicContact CE-CD2 3.47Å; M2188-L2201 VanDerWaalsContact CE-CD2 3.47Å; M2188-L2201 HydrophobicContact CE-CG 4.24Å; L2190-L2201 HydrophobicContact CD1-CD1 3.97Å; L2190-L2201 HydrophobicContact CD2-CD1 4.4Å; L2199-L2201 HydrophobicContact CB-CD1 4.44Å; L2199-L2201 HydrophobicContact CB-CD2 4.3Å; L2199-L2201 HydrophobicContact CB-CG 4.13Å; L2201-G2203 PolarHBondContact O-N 2.88Å; L2201-G2203 VanDerWaalsContact O-N 3.09Å; L2201-A2204 PolarHBondContact O-N 3.11Å; L2201-R2225 CarbonylContact C-O 3.51Å; L2201-R2225 WeakPolarHBondContact CA-O 3.42Å; L2201-R2225 HydrophobicContact CB-CB 4.46Å; L2201-R2225 HydrophobicContact CD1-CB 4.28Å; L2201-R2225 HydrophobicContact CG-CB 4.38Å; L2201-R2225 PolarHBondContact N-O 2.85Å | ||
| 2202 | T | 82.5 | Confident | 78.9 | Confident | 42 Ų | 42 | 14.7 Ų | 14.7 | 26% | 0.258 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.2 | -178.4 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | A2204 R2228 | T2202-A2204 VanDerWaalsContact C-N 3.26Å; T2202-A2204 PolarHBondContact O-N 2.92Å; T2202-R2228 HydrophobicContact CG2-CB 4.24Å |
| 2203 | G | 81.7 | Confident | 79 | Confident | 23 Ų | 23 | 15.5 Ų | 15.5 | 24% | 0.237 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | R2133 N2180 L2201 | R2133-G2203 WeakPolarHBondContact CD-O 3.45Å; R2133-G2203 PolarHBondContact NH1-O 3.04Å; N2180-G2203 PolarHBondContact OD1-N 3.11Å; L2201-G2203 PolarHBondContact O-N 2.88Å; L2201-G2203 VanDerWaalsContact O-N 3.09Å |
| 2204 | A | 86.8 | Confident | 79.2 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | trans | -104.2 | 146.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R2133 L2135 F2179 L2201 T2202 Q2231 | R2133-A2204 WeakPolarHBondContact O-CA 3.16Å; R2133-A2204 WeakPolarHBondContact O-CB 3.39Å; L2135-A2204 HydrophobicContact CD1-CB 4.16Å; L2135-A2204 HydrophobicContact CD2-CB 3.8Å; L2135-A2204 HydrophobicContact CG-CB 3.59Å; F2179-A2204 HydrophobicContact CE1-CB 3.98Å; F2179-A2204 HydrophobicContact CZ-CB 3.99Å; L2201-A2204 PolarHBondContact O-N 3.11Å; T2202-A2204 VanDerWaalsContact C-N 3.26Å; T2202-A2204 PolarHBondContact O-N 2.92Å; A2204-Q2231 PolarHBondContact O-NE2 3.3Å | ||
| 2205 | D | 86.8 | Confident | 79.2 | Confident | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.032 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -113.8 | -16.5 | 172.6 | 55.6 | 13.9 | 0 | 0 | 0 | 113 | H2132 R2133 R2233 V2235 N2236 | H2132-D2205 WeakPolarHBondContact CA-OD1 3.25Å; H2132-D2205 WeakPolarHBondContact CB-OD1 3.34Å; H2132-D2205 IonicContact CG-OD1 3.48Å; H2132-D2205 IonicContact CG-OD2 2.88Å; H2132-D2205 IonicContact ND1-OD1 3.77Å; H2132-D2205 IonicContact ND1-OD2 3.01Å; H2132-D2205 PolarHBondContact ND1-OD2 3.46Å; R2133-D2205 PolarHBondContact N-OD1 3.19Å; R2133-D2205 PolarHBondContact O-N 3.36Å; R2133-D2205 VanDerWaalsContact O-OD1 3.09Å; D2205-R2233 HydrophobicContact CB-CB 3.9Å; D2205-R2233 WeakPolarHBondContact OD2-CD 3.42Å; D2205-R2233 IonicContact OD2-CZ 3.39Å; D2205-R2233 IonicContact OD2-NE 3.94Å; D2205-R2233 IonicContact OD2-NH1 2.7Å; D2205-R2233 PolarHBondContact OD2-NH1 2.98Å; D2205-V2235 WeakPolarHBondContact O-CA 3.26Å; D2205-N2236 PolarHBondContact O-N 3.05Å |
| 2206 | T | 88.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | R2133 A2134 L2135 I2208 N2236 Y2238 | R2133-T2206 PolarHBondContact O-N 3.14Å; R2133-T2206 VanDerWaalsContact O-N 3.14Å; A2134-T2206 CarbonylContact C-O 3.55Å; A2134-T2206 VanDerWaalsContact CA-O 3.25Å; A2134-T2206 WeakPolarHBondContact CA-O 3.22Å; A2134-T2206 HydrophobicContact CB-CG2 3.94Å; L2135-T2206 PolarHBondContact N-O 2.96Å; T2206-I2208 HydrophobicContact CG2-CD1 4.36Å; T2206-I2208 HydrophobicContact CG2-CG1 4.1Å; T2206-N2236 CarbonylContact C-O 3.45Å; T2206-N2236 WeakPolarHBondContact CA-O 3.49Å; T2206-Y2238 HydrophobicContact CG2-CD2 3.94Å; T2206-Y2238 HydrophobicContact CG2-CE2 3.82Å |
| 2207 | V | 90.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.8 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | L2135 F2137 F2209 A2226 V2235 N2236 V2237 Y2238 | L2135-V2207 HydrophobicContact CB-CG2 4.44Å; L2135-V2207 HydrophobicContact CD1-CG2 4.38Å; L2135-V2207 CarbonylContact O-C 3.57Å; L2135-V2207 WeakPolarHBondContact O-CA 3.31Å; F2137-V2207 HydrophobicContact CD2-CG1 3.69Å; F2137-V2207 HydrophobicContact CE2-CG1 3.59Å; V2207-F2209 HydrophobicContact CG1-CD2 4.07Å; V2207-F2209 HydrophobicContact CG1-CE2 3.6Å; V2207-F2209 HydrophobicContact CG1-CZ 4.48Å; V2207-A2226 HydrophobicContact CG2-CB 3.77Å; V2207-V2235 HydrophobicContact CG2-CG1 4.05Å; V2207-N2236 PolarHBondContact N-O 3.29Å; V2207-V2237 HydrophobicContact CB-CG1 4.37Å; V2207-V2237 HydrophobicContact CB-CG2 4.21Å; V2207-V2237 HydrophobicContact CG1-CG1 4.28Å; V2207-V2237 CarbonylContact O-C 3.56Å; V2207-V2237 VanDerWaalsContact O-CA 3.31Å; V2207-V2237 WeakPolarHBondContact O-CA 3.42Å; V2207-Y2238 PolarHBondContact O-N 3.22Å |
| 2208 | I | 91.8 | Very high | 81.5 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.1 | -176.9 | -53.7 | 170 | 0 | 0 | 0 | 109.1 | L2078 L2081 L2082 A2134 L2135 I2136 F2137 T2206 Y2238 L2240 | L2078-I2208 HydrophobicContact CD1-CD1 4.12Å; L2078-I2208 HydrophobicContact CD1-CG2 3.82Å; L2081-I2208 HydrophobicContact CD2-CD1 3.83Å; L2081-I2208 HydrophobicContact CD2-CG1 3.95Å; L2081-I2208 HydrophobicContact CD2-CG2 3.94Å; L2081-I2208 HydrophobicContact CG-CD1 4.39Å; L2082-I2208 HydrophobicContact CD2-CD1 4.24Å; A2134-I2208 HydrophobicContact CB-CD1 4.48Å; L2135-I2208 PolarHBondContact O-N 2.81Å; I2136-I2208 CarbonylContact C-O 3.51Å; I2136-I2208 WeakPolarHBondContact CA-O 3.42Å; I2136-I2208 HydrophobicContact CG1-CB 4.44Å; I2136-I2208 HydrophobicContact CG1-CD1 4.42Å; I2136-I2208 HydrophobicContact CG2-CB 4.42Å; F2137-I2208 PolarHBondContact N-O 2.79Å; T2206-I2208 HydrophobicContact CG2-CD1 4.36Å; T2206-I2208 HydrophobicContact CG2-CG1 4.1Å; I2208-Y2238 WeakPolarHBondContact CA-O 3.45Å; I2208-Y2238 HydrophobicContact CG1-CD2 4.26Å; I2208-L2240 HydrophobicContact CG2-CD1 3.88Å; I2208-L2240 HydrophobicContact CG2-CG 4.47Å |
| 2209 | F | 91.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.7 | 171.9 | -75.5 | -97.6 | 0 | 0 | 0 | 109.8 | F2137 T2192 V2207 D2219 A2222 M2223 V2237 Y2238 L2240 | F2137-F2209 HydrophobicContact CB-CD1 3.81Å; F2137-F2209 HydrophobicContact CB-CE1 3.92Å; F2137-F2209 HydrophobicContact CB-CG 4.3Å; F2137-F2209 HydrophobicContact CB-CZ 4.48Å; F2137-F2209 HydrophobicContact CD2-CD1 4.43Å; F2137-F2209 HydrophobicContact CD2-CD2 4.38Å; F2137-F2209 AromaticContact CD2-CE1 3.96Å; F2137-F2209 HydrophobicContact CD2-CE1 3.96Å; F2137-F2209 AromaticContact CD2-CE2 3.89Å; F2137-F2209 HydrophobicContact CD2-CE2 3.89Å; F2137-F2209 AromaticContact CD2-CZ 3.66Å; F2137-F2209 HydrophobicContact CD2-CZ 3.66Å; F2137-F2209 HydrophobicContact CE2-CE2 4.43Å; F2137-F2209 HydrophobicContact CE2-CZ 4.16Å; F2137-F2209 HydrophobicContact CG-CD1 4.4Å; F2137-F2209 HydrophobicContact CG-CE1 4.04Å; F2137-F2209 HydrophobicContact CG-CZ 4.21Å; T2192-F2209 HydrophobicContact CG2-CE1 4.35Å; V2207-F2209 HydrophobicContact CG1-CD2 4.07Å; V2207-F2209 HydrophobicContact CG1-CE2 3.6Å; V2207-F2209 HydrophobicContact CG1-CZ 4.48Å; F2209-D2219 HydrophobicContact CE1-CB 3.95Å; F2209-D2219 HydrophobicContact CZ-CB 4.35Å; F2209-D2219 WeakPolarHBondContact CZ-O 3.29Å; F2209-A2222 HydrophobicContact CE1-CB 4.18Å; F2209-A2222 HydrophobicContact CZ-CB 3.88Å; F2209-M2223 HydrophobicContact CD2-CE 4.15Å; F2209-M2223 HydrophobicContact CE2-CE 3.66Å; F2209-M2223 HydrophobicContact CE2-CG 3.51Å; F2209-M2223 HydrophobicContact CE2-SD 4.46Å; F2209-M2223 HydrophobicContact CZ-CE 3.99Å; F2209-M2223 HydrophobicContact CZ-CG 3.78Å; F2209-V2237 HydrophobicContact CD2-CG1 3.93Å; F2209-V2237 HydrophobicContact CE2-CG1 3.9Å; F2209-Y2238 PolarHBondContact N-O 3.2Å; F2209-L2240 WeakPolarHBondContact O-CB 3.3Å; F2209-L2240 PolarHBondContact O-N 3.08Å |
| 2210 | V | 90.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -87.6 | -30 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | K2074 L2078 I2136 F2137 F2138 M2143 L2240 | K2074-V2210 HydrophobicContact CD-CG1 4.31Å; K2074-V2210 WeakPolarHBondContact CD-O 3.4Å; K2074-V2210 PolarHBondContact NZ-O 3.12Å; L2078-V2210 HydrophobicContact CD2-CG2 4.29Å; I2136-V2210 HydrophobicContact CG2-CG2 3.66Å; F2137-V2210 PolarHBondContact O-N 3.46Å; F2138-V2210 HydrophobicContact CD1-CB 3.9Å; F2138-V2210 HydrophobicContact CD1-CG1 4.17Å; F2138-V2210 HydrophobicContact CD1-CG2 4.24Å; F2138-V2210 HydrophobicContact CE1-CB 3.79Å; F2138-V2210 HydrophobicContact CE1-CG1 3.97Å; F2138-V2210 HydrophobicContact CE1-CG2 3.67Å; F2138-V2210 HydrophobicContact CZ-CG2 4.11Å; M2143-V2210 HydrophobicContact CE-CG1 3.61Å; M2143-V2210 HydrophobicContact CG-CG1 4.13Å; V2210-L2240 HydrophobicContact CB-CD1 4.48Å; V2210-L2240 HydrophobicContact CG2-CD1 3.96Å |
| 2211 | E | 87.7 | Confident | 82.8 | Confident | 9 Ų | 9 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -137.5 | 135.2 | 178.5 | -69.2 | 171.6 | 115.1 | 0 | 0 | 110.5 | N2038 Q2139 T2140 | N2038-E2211 WeakPolarHBondContact ND2-CG 3.43Å; N2038-E2211 PolarHBondContact ND2-OE1 3.32Å; N2038-E2211 WeakPolarHBondContact OD1-CG 3.48Å; Q2139-E2211 HydrophobicContact CB-CB 3.81Å; Q2139-E2211 HydrophobicContact CG-CB 3.64Å; Q2139-E2211 PolarHBondContact N-OE2 2.76Å; T2140-E2211 WeakPolarHBondContact CB-OE1 3.45Å; T2140-E2211 VanDerWaalsContact CG2-OE1 3.26Å; T2140-E2211 WeakPolarHBondContact CG2-OE1 3.46Å; T2140-E2211 PolarHBondContact N-OE2 3.48Å; T2140-E2211 PolarHBondContact OG1-OE1 3.04Å; T2140-E2211 PolarHBondContact OG1-OE2 3.32Å |
| 2212 | H | 86.7 | Confident | 82.6 | Confident | 9 Ų | 9 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | trans | -103.5 | 153.8 | -177.8 | -48.9 | -63.9 | 0 | 0 | 0 | 112.2 | L2240 M2251 | H2212-L2240 PolarHBondContact NE2-O 3.46Å; H2212-M2251 HydrophobicContact CB-CE 3.39Å; H2212-M2251 VanDerWaalsContact CG-CE 3.47Å | ||
| 2213 | D | 83.4 | Confident | 82.6 | Confident | 22 Ų | 22 | 16.8 Ų | 16.8 | 12% | 0.118 | 8% | 0.084 | C | C | . | . | trans | -84.7 | 170.2 | 173.1 | -154 | -85.4 | 0 | 0 | 0 | 111.8 | N2215 K2218 D2219 I2250 Q2254 | D2213-N2215 VanDerWaalsContact C-N 3.31Å; D2213-N2215 PolarHBondContact OD1-N 3.2Å; D2213-K2218 HydrophobicContact CB-CB 4.37Å; D2213-K2218 HydrophobicContact CB-CD 4.02Å; D2213-K2218 WeakPolarHBondContact OD1-CD 3.48Å; D2213-K2218 IonicContact OD1-NZ 3.52Å; D2213-K2218 PolarHBondContact OD1-NZ 2.96Å; D2213-K2218 WeakPolarHBondContact OD2-CD 3.15Å; D2213-K2218 WeakPolarHBondContact OD2-CE 3.38Å; D2213-K2218 IonicContact OD2-NZ 3.92Å; D2213-K2218 PolarHBondContact OD2-NZ 3.15Å; D2213-D2219 PolarHBondContact N-OD1 2.92Å; D2213-D2219 PolarHBondContact N-OD2 3.25Å; D2213-I2250 WeakPolarHBondContact O-CG2 3.48Å; D2213-Q2254 PolarHBondContact O-NE2 3.49Å | ||
| 2214 | W | 75.9 | Confident | 82.3 | Confident | 83 Ų | 83 | 15.9 Ų | 15.9 | 31% | 0.314 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -84.2 | -9.2 | 168.5 | -67.4 | 76.7 | 0 | 0 | 0 | 112.3 | L2030 I2246 I2250 L2253 K2257 | L2030-W2214 HydrophobicContact CD1-CH2 4.47Å; L2030-W2214 HydrophobicContact CD1-CZ2 4.46Å; L2030-W2214 HydrophobicContact CD2-CH2 4.32Å; W2214-I2246 HydrophobicContact CH2-CD1 4.42Å; W2214-I2246 HydrophobicContact CH2-CG1 4.45Å; W2214-I2246 HydrophobicContact CZ2-CD1 4.42Å; W2214-I2250 HydrophobicContact CD2-CD1 4.27Å; W2214-I2250 HydrophobicContact CD2-CG1 3.89Å; W2214-I2250 HydrophobicContact CE3-CG1 3.9Å; W2214-I2250 HydrophobicContact CH2-CD1 4.11Å; W2214-I2250 HydrophobicContact CH2-CG1 3.66Å; W2214-I2250 HydrophobicContact CZ2-CD1 3.59Å; W2214-I2250 HydrophobicContact CZ2-CG1 3.64Å; W2214-I2250 HydrophobicContact CZ3-CG1 3.79Å; W2214-L2253 HydrophobicContact CE3-CD1 4.08Å; W2214-L2253 HydrophobicContact CZ3-CD1 3.7Å; W2214-K2257 PolarHBondContact O-NZ 3.39Å |
| 2215 | N | 72.5 | Confident | 81.9 | Confident | 29 Ų | 29 | 16.8 Ų | 16.8 | 16% | 0.155 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -113 | 110.6 | 175.5 | -176.4 | 27.4 | 0 | 0 | 0 | 111.2 | D2213 S2217 K2218 | D2213-N2215 VanDerWaalsContact C-N 3.31Å; D2213-N2215 PolarHBondContact OD1-N 3.2Å; N2215-S2217 PolarHBondContact O-N 3.45Å; N2215-S2217 VanDerWaalsContact O-N 3.12Å; N2215-S2217 PolarHBondContact OD1-OG 3.23Å; N2215-K2218 HydrophobicContact CB-CD 4.37Å; N2215-K2218 PolarHBondContact O-N 3.48Å; N2215-K2218 VanDerWaalsContact O-N 3.13Å |
| 2216 | P | 77.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.3 | -30.1 | -176.1 | 24.9 | -34.7 | 0 | 0 | 0 | 113.2 | K2218 D2219 L2220 Q2254 K2257 L2258 | P2216-K2218 PolarHBondContact O-N 2.94Å; P2216-K2218 VanDerWaalsContact O-N 3.15Å; P2216-D2219 PolarHBondContact O-N 3.18Å; P2216-D2219 VanDerWaalsContact O-N 3.15Å; P2216-L2220 WeakPolarHBondContact O-CG 3.49Å; P2216-L2220 PolarHBondContact O-N 2.79Å; P2216-Q2254 HydrophobicContact CB-CB 3.91Å; P2216-Q2254 HydrophobicContact CB-CG 3.96Å; P2216-Q2254 HydrophobicContact CG-CB 4.3Å; P2216-Q2254 HydrophobicContact CG-CG 4.43Å; P2216-K2257 HydrophobicContact CG-CB 4.06Å; P2216-L2258 HydrophobicContact CB-CD1 3.89Å; P2216-L2258 HydrophobicContact CB-CD2 3.92Å; P2216-L2258 HydrophobicContact CB-CG 3.75Å; P2216-L2258 HydrophobicContact CG-CD1 4.39Å; P2216-L2258 HydrophobicContact CG-CD2 3.83Å; P2216-L2258 HydrophobicContact CG-CG 3.7Å |
| 2217 | S | 72.2 | Confident | 81.3 | Confident | 6 Ų | 6 | 17.1 Ų | 17.1 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.1 | -29.9 | 180 | -44.7 | 0 | 0 | 0 | 0 | 113.1 | N2215 Q2221 | N2215-S2217 PolarHBondContact O-N 3.45Å; N2215-S2217 VanDerWaalsContact O-N 3.12Å; N2215-S2217 PolarHBondContact OD1-OG 3.23Å; S2217-Q2221 WeakPolarHBondContact O-CB 3.25Å; S2217-Q2221 WeakPolarHBondContact O-CG 3.49Å; S2217-Q2221 PolarHBondContact O-N 3.26Å |
| 2218 | K | 76.5 | Confident | 80.6 | Confident | 90 Ų | 90 | 18.9 Ų | 18.9 | 39% | 0.391 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -74.6 | -40 | 178.2 | -73.1 | 169.2 | 174.1 | 172.2 | 0 | 112.5 | D2213 N2215 P2216 Q2221 A2222 | D2213-K2218 HydrophobicContact CB-CB 4.37Å; D2213-K2218 HydrophobicContact CB-CD 4.02Å; D2213-K2218 WeakPolarHBondContact OD1-CD 3.48Å; D2213-K2218 IonicContact OD1-NZ 3.52Å; D2213-K2218 PolarHBondContact OD1-NZ 2.96Å; D2213-K2218 WeakPolarHBondContact OD2-CD 3.15Å; D2213-K2218 WeakPolarHBondContact OD2-CE 3.38Å; D2213-K2218 IonicContact OD2-NZ 3.92Å; D2213-K2218 PolarHBondContact OD2-NZ 3.15Å; N2215-K2218 HydrophobicContact CB-CD 4.37Å; N2215-K2218 PolarHBondContact O-N 3.48Å; N2215-K2218 VanDerWaalsContact O-N 3.13Å; P2216-K2218 PolarHBondContact O-N 2.94Å; P2216-K2218 VanDerWaalsContact O-N 3.15Å; K2218-Q2221 PolarHBondContact O-N 2.94Å; K2218-A2222 WeakPolarHBondContact O-CB 3.49Å; K2218-A2222 PolarHBondContact O-N 3.39Å |
| 2219 | D | 80.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.3 | -41.3 | -179 | -62 | -19.6 | 0 | 0 | 0 | 109.1 | F2209 D2213 P2216 A2222 M2223 Q2254 | F2209-D2219 HydrophobicContact CE1-CB 3.95Å; F2209-D2219 HydrophobicContact CZ-CB 4.35Å; F2209-D2219 WeakPolarHBondContact CZ-O 3.29Å; D2213-D2219 PolarHBondContact N-OD1 2.92Å; D2213-D2219 PolarHBondContact N-OD2 3.25Å; P2216-D2219 PolarHBondContact O-N 3.18Å; P2216-D2219 VanDerWaalsContact O-N 3.15Å; D2219-A2222 WeakPolarHBondContact O-CB 3.5Å; D2219-A2222 PolarHBondContact O-N 3.23Å; D2219-A2222 VanDerWaalsContact O-N 3.11Å; D2219-M2223 HydrophobicContact CB-CE 4.29Å; D2219-M2223 VanDerWaalsContact O-CG 3.3Å; D2219-M2223 WeakPolarHBondContact O-CG 3.48Å; D2219-M2223 PolarHBondContact O-N 3.13Å; D2219-Q2254 PolarHBondContact OD2-NE2 3.23Å |
| 2220 | L | 77.9 | Confident | 78.9 | Confident | 41 Ų | 41 | 24 Ų | 24 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 168.3 | -69 | 172.8 | 0 | 0 | 0 | 112.5 | P2216 A2222 M2223 D2224 L2258 | P2216-L2220 WeakPolarHBondContact O-CG 3.49Å; P2216-L2220 PolarHBondContact O-N 2.79Å; L2220-A2222 PolarHBondContact O-N 3.1Å; L2220-M2223 HydrophobicContact CD2-SD 4.09Å; L2220-M2223 PolarHBondContact O-N 3.33Å; L2220-D2224 WeakPolarHBondContact O-CB 3.06Å; L2220-D2224 PolarHBondContact O-N 3.07Å; L2220-L2258 HydrophobicContact CD1-CD1 4.11Å; L2220-L2258 HydrophobicContact CD1-CD2 3.65Å |
| 2221 | Q | 77 | Confident | 78.3 | Confident | 22 Ų | 22 | 24.7 Ų | 24.7 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -30.1 | 174.2 | -85 | 173.1 | -6.5 | 0 | 0 | 113.2 | L1732 E1859 S2217 K2218 R2225 | L1732-Q2221 HydrophobicContact CD1-CB 4.4Å; L1732-Q2221 HydrophobicContact CD1-CG 3.49Å; L1732-Q2221 VanDerWaalsContact CD1-CG 3.49Å; L1732-Q2221 HydrophobicContact CD2-CG 4.15Å; L1732-Q2221 HydrophobicContact CG-CG 4.47Å; E1859-Q2221 PolarHBondContact OE1-NE2 3.28Å; E1859-Q2221 PolarHBondContact OE2-NE2 3.02Å; S2217-Q2221 WeakPolarHBondContact O-CB 3.25Å; S2217-Q2221 WeakPolarHBondContact O-CG 3.49Å; S2217-Q2221 PolarHBondContact O-N 3.26Å; K2218-Q2221 PolarHBondContact O-N 2.94Å; Q2221-R2225 WeakPolarHBondContact O-CD 3.3Å; Q2221-R2225 WeakPolarHBondContact O-CG 3.33Å; Q2221-R2225 PolarHBondContact O-NE 3.37Å; Q2221-R2225 VanDerWaalsContact O-NE 3.17Å |
| 2222 | A | 77.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -80.1 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2137 T2192 F2209 K2218 D2219 L2220 D2224 R2225 | F2137-A2222 HydrophobicContact CD1-CB 4.33Å; F2137-A2222 HydrophobicContact CD2-CB 4.49Å; F2137-A2222 HydrophobicContact CE1-CB 3.93Å; F2137-A2222 HydrophobicContact CE2-CB 4.08Å; F2137-A2222 HydrophobicContact CZ-CB 3.79Å; T2192-A2222 HydrophobicContact CG2-CB 4.1Å; F2209-A2222 HydrophobicContact CE1-CB 4.18Å; F2209-A2222 HydrophobicContact CZ-CB 3.88Å; K2218-A2222 WeakPolarHBondContact O-CB 3.49Å; K2218-A2222 PolarHBondContact O-N 3.39Å; D2219-A2222 WeakPolarHBondContact O-CB 3.5Å; D2219-A2222 PolarHBondContact O-N 3.23Å; D2219-A2222 VanDerWaalsContact O-N 3.11Å; L2220-A2222 PolarHBondContact O-N 3.1Å; A2222-D2224 VanDerWaalsContact C-N 3.33Å; A2222-D2224 PolarHBondContact O-N 3.46Å; A2222-R2225 WeakPolarHBondContact O-CB 3.4Å; A2222-R2225 PolarHBondContact O-N 3.19Å |
| 2223 | M | 81.8 | Confident | 77.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 172.5 | -66.1 | 166.5 | -165.3 | 0 | 0 | 111.6 | K1969 I1971 F2209 D2219 L2220 R2225 A2226 H2227 V2237 | K1969-M2223 HydrophobicContact CD-CB 4.34Å; I1971-M2223 HydrophobicContact CD1-SD 3.93Å; F2209-M2223 HydrophobicContact CD2-CE 4.15Å; F2209-M2223 HydrophobicContact CE2-CE 3.66Å; F2209-M2223 HydrophobicContact CE2-CG 3.51Å; F2209-M2223 HydrophobicContact CE2-SD 4.46Å; F2209-M2223 HydrophobicContact CZ-CE 3.99Å; F2209-M2223 HydrophobicContact CZ-CG 3.78Å; D2219-M2223 HydrophobicContact CB-CE 4.29Å; D2219-M2223 VanDerWaalsContact O-CG 3.3Å; D2219-M2223 WeakPolarHBondContact O-CG 3.48Å; D2219-M2223 PolarHBondContact O-N 3.13Å; L2220-M2223 HydrophobicContact CD2-SD 4.09Å; L2220-M2223 PolarHBondContact O-N 3.33Å; M2223-R2225 PolarHBondContact O-N 3.06Å; M2223-A2226 PolarHBondContact O-N 3.48Å; M2223-A2226 VanDerWaalsContact O-N 3.08Å; M2223-H2227 PolarHBondContact O-N 2.92Å; M2223-H2227 VanDerWaalsContact O-N 3.16Å; M2223-V2237 HydrophobicContact CE-CG1 3.94Å; M2223-V2237 HydrophobicContact CG-CG1 3.87Å; M2223-V2237 HydrophobicContact CG-CG2 4.2Å; M2223-V2237 HydrophobicContact SD-CG1 4.07Å |
| 2224 | D | 76.5 | Confident | 77.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 2 | -177.5 | -71.1 | -14 | 0 | 0 | 0 | 114.1 | L1732 K1959 K1969 L2220 A2222 | L1732-D2224 HydrophobicContact CB-CB 4.26Å; L1732-D2224 WeakPolarHBondContact CB-OD2 3.4Å; K1959-D2224 IonicContact NZ-OD1 3.65Å; K1959-D2224 PolarHBondContact NZ-OD1 2.8Å; K1959-D2224 IonicContact NZ-OD2 2.8Å; K1959-D2224 PolarHBondContact NZ-OD2 2.83Å; K1969-D2224 IonicContact NZ-OD1 2.85Å; K1969-D2224 PolarHBondContact NZ-OD1 3.03Å; L2220-D2224 WeakPolarHBondContact O-CB 3.06Å; L2220-D2224 PolarHBondContact O-N 3.07Å; A2222-D2224 VanDerWaalsContact C-N 3.33Å; A2222-D2224 PolarHBondContact O-N 3.46Å |
| 2225 | R | 77.7 | Confident | 78.1 | Confident | 20 Ų | 20 | 38 Ų | 38 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -29.7 | 167 | -58.8 | -39.9 | -178.6 | -170.2 | -5.8 | 112.8 | G2195 G2196 G2198 L2199 L2201 Q2221 A2222 M2223 | G2195-R2225 VanDerWaalsContact O-CG 3.28Å; G2195-R2225 WeakPolarHBondContact O-CG 3.43Å; G2195-R2225 PolarHBondContact O-NE 3.34Å; G2196-R2225 PolarHBondContact O-NH2 3.2Å; G2198-R2225 VanDerWaalsContact CA-CZ 3.46Å; L2199-R2225 WeakPolarHBondContact O-CB 3.41Å; L2199-R2225 WeakPolarHBondContact O-CD 3.45Å; L2201-R2225 CarbonylContact C-O 3.51Å; L2201-R2225 WeakPolarHBondContact CA-O 3.42Å; L2201-R2225 HydrophobicContact CB-CB 4.46Å; L2201-R2225 HydrophobicContact CD1-CB 4.28Å; L2201-R2225 HydrophobicContact CG-CB 4.38Å; L2201-R2225 PolarHBondContact N-O 2.85Å; Q2221-R2225 WeakPolarHBondContact O-CD 3.3Å; Q2221-R2225 WeakPolarHBondContact O-CG 3.33Å; Q2221-R2225 PolarHBondContact O-NE 3.37Å; Q2221-R2225 VanDerWaalsContact O-NE 3.17Å; A2222-R2225 WeakPolarHBondContact O-CB 3.4Å; A2222-R2225 PolarHBondContact O-N 3.19Å; M2223-R2225 PolarHBondContact O-N 3.06Å |
| 2226 | A | 80.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -40.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2135 V2207 M2223 R2228 Q2231 V2235 | L2135-A2226 HydrophobicContact CD1-CB 4.03Å; V2207-A2226 HydrophobicContact CG2-CB 3.77Å; M2223-A2226 PolarHBondContact O-N 3.48Å; M2223-A2226 VanDerWaalsContact O-N 3.08Å; A2226-R2228 VanDerWaalsContact C-N 3.32Å; A2226-R2228 PolarHBondContact O-N 3.13Å; A2226-R2228 VanDerWaalsContact O-N 3.09Å; A2226-Q2231 PolarHBondContact O-NE2 3.47Å; A2226-V2235 HydrophobicContact CB-CG1 4.27Å |
| 2227 | H | 81.5 | Confident | 79.5 | Confident | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.069 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.8 | 70.3 | 175.9 | -166.1 | -118.1 | 0 | 0 | 0 | 111.8 | L1966 P1967 K1969 M2223 V2235 | L1966-H2227 WeakPolarHBondContact CD2-CE1 3.49Å; L1966-H2227 WeakPolarHBondContact CD2-NE2 3.4Å; P1967-H2227 PolarHBondContact O-NE2 2.85Å; K1969-H2227 HydrophobicContact CB-CB 4.37Å; K1969-H2227 HydrophobicContact CD-CB 3.89Å; K1969-H2227 HydrophobicContact CG-CB 4.41Å; M2223-H2227 PolarHBondContact O-N 2.92Å; M2223-H2227 VanDerWaalsContact O-N 3.16Å; H2227-V2235 HydrophobicContact CB-CB 4.43Å; H2227-V2235 HydrophobicContact CB-CG2 4.22Å |
| 2228 | R | 76 | Confident | 80.4 | Confident | 36 Ų | 36 | 39 Ų | 39 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -132.5 | 158.9 | -177.9 | -159.3 | 167.2 | 176.5 | 177 | -2.9 | 111 | G2198 N2200 T2202 A2226 G2230 Q2231 | G2198-R2228 PolarHBondContact O-NH1 2.89Å; N2200-R2228 VanDerWaalsContact OD1-CD 3.28Å; N2200-R2228 WeakPolarHBondContact OD1-CD 3.33Å; N2200-R2228 PolarHBondContact OD1-NE 2.8Å; N2200-R2228 PolarHBondContact OD1-NH1 3.46Å; T2202-R2228 HydrophobicContact CG2-CB 4.24Å; A2226-R2228 VanDerWaalsContact C-N 3.32Å; A2226-R2228 PolarHBondContact O-N 3.13Å; A2226-R2228 VanDerWaalsContact O-N 3.09Å; R2228-G2230 PolarHBondContact O-N 3.33Å; R2228-Q2231 VanDerWaalsContact O-CB 3.26Å; R2228-Q2231 WeakPolarHBondContact O-CB 3.47Å; R2228-Q2231 PolarHBondContact O-N 2.89Å |
| 2229 | I | 72.7 | Confident | 81.1 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 28% | 0.277 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | 124.1 | 175.6 | -63.3 | 165.6 | 0 | 0 | 0 | 110.6 | R1706 G1733 M1963 | R1706-I2229 VanDerWaalsContact NH2-CG2 3.32Å; G1733-I2229 WeakPolarHBondContact O-CD1 3.43Å; M1963-I2229 HydrophobicContact SD-CD1 4.35Å; M1963-I2229 HydrophobicContact SD-CG1 3.93Å |
| 2230 | G | 74 | Confident | 81.7 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 57% | 0.567 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104.5 | -12.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R2228 | R2228-G2230 PolarHBondContact O-N 3.33Š|
| 2231 | Q | 79.4 | Confident | 82.3 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | trans | -61.1 | 138.5 | 164.7 | 179.9 | 58 | -86.6 | 0 | 0 | 110.6 | L1966 P1967 A2204 A2226 R2228 R2233 V2235 | L1966-Q2231 HydrophobicContact CD1-CB 4.1Å; P1967-Q2231 HydrophobicContact CG-CG 4.28Å; A2204-Q2231 PolarHBondContact O-NE2 3.3Å; A2226-Q2231 PolarHBondContact O-NE2 3.47Å; R2228-Q2231 VanDerWaalsContact O-CB 3.26Å; R2228-Q2231 WeakPolarHBondContact O-CB 3.47Å; R2228-Q2231 PolarHBondContact O-N 2.89Å; Q2231-R2233 VanDerWaalsContact CD-O 3.26Å; Q2231-R2233 WeakPolarHBondContact CG-O 3.49Å; Q2231-R2233 PolarHBondContact OE1-O 3.19Å; Q2231-V2235 HydrophobicContact CG-CG2 3.82Å | ||
| 2232 | R | 79 | Confident | 82.9 | Confident | 230 Ų | 230 | 34.7 Ų | 34.7 | 87% | 0.868 | 16% | 0.163 | S | C | * | . | trans | -122.7 | -8.3 | 179.3 | -63.8 | -173.5 | -179.6 | -167.6 | -1 | 113.8 | ||||
| 2233 | R | 81.6 | Confident | 83.2 | Confident | 126 Ų | 126 | 37.9 Ų | 37.9 | 48% | 0.475 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -115 | 145.9 | 178.7 | -62.3 | 179.2 | 178.6 | -171 | -4 | 109.6 | P1967 Q2131 D2205 Q2231 V2235 | P1967-R2233 WeakPolarHBondContact CG-O 3.37Å; Q2131-R2233 PolarHBondContact O-NH1 3.5Å; D2205-R2233 HydrophobicContact CB-CB 3.9Å; D2205-R2233 WeakPolarHBondContact OD2-CD 3.42Å; D2205-R2233 IonicContact OD2-CZ 3.39Å; D2205-R2233 IonicContact OD2-NE 3.94Å; D2205-R2233 IonicContact OD2-NH1 2.7Å; D2205-R2233 PolarHBondContact OD2-NH1 2.98Å; Q2231-R2233 VanDerWaalsContact CD-O 3.26Å; Q2231-R2233 WeakPolarHBondContact CG-O 3.49Å; Q2231-R2233 PolarHBondContact OE1-O 3.19Å; R2233-V2235 PolarHBondContact O-N 3.31Å |
| 2234 | T | 82.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | trans | -52 | 134.4 | 168.5 | -51.4 | 0 | 0 | 0 | 0 | 110 | P1968 I1970 | P1968-T2234 HydrophobicContact CG-CG2 4.23Å; P1968-T2234 WeakPolarHBondContact O-CG2 3.43Å; I1970-T2234 HydrophobicContact CD1-CG2 3.35Å | ||
| 2235 | V | 86.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 110.3 | -176.4 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | P1968 I1970 D2205 V2207 A2226 H2227 Q2231 R2233 V2237 | P1968-V2235 PolarHBondContact O-N 2.74Å; I1970-V2235 PolarHBondContact N-O 3.38Å; D2205-V2235 WeakPolarHBondContact O-CA 3.26Å; V2207-V2235 HydrophobicContact CG2-CG1 4.05Å; A2226-V2235 HydrophobicContact CB-CG1 4.27Å; H2227-V2235 HydrophobicContact CB-CB 4.43Å; H2227-V2235 HydrophobicContact CB-CG2 4.22Å; Q2231-V2235 HydrophobicContact CG-CG2 3.82Å; R2233-V2235 PolarHBondContact O-N 3.31Å; V2235-V2237 HydrophobicContact CG1-CG2 4.2Å |
| 2236 | N | 89 | Confident | 83.8 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 16% | 0.16 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.5 | 178.9 | -66.8 | -27.4 | 0 | 0 | 0 | 110.1 | D2205 T2206 V2207 Y2238 Y2312 | D2205-N2236 PolarHBondContact O-N 3.05Å; T2206-N2236 CarbonylContact C-O 3.45Å; T2206-N2236 WeakPolarHBondContact CA-O 3.49Å; V2207-N2236 PolarHBondContact N-O 3.29Å; N2236-Y2238 HydrophobicContact CB-CE2 3.83Å; N2236-Y2312 VanDerWaalsContact OD1-CE1 3.29Å; N2236-Y2312 WeakPolarHBondContact OD1-CE1 3.47Å; N2236-Y2312 PolarHBondContact OD1-OH 3.07Å |
| 2237 | V | 89.7 | Confident | 84 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.7 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | K1969 I1970 I1971 Q1972 V2207 F2209 M2223 V2235 | K1969-V2237 HydrophobicContact CD-CG2 4.36Å; K1969-V2237 HydrophobicContact CG-CG2 4Å; I1970-V2237 WeakPolarHBondContact O-CA 3.16Å; I1970-V2237 WeakPolarHBondContact O-CB 3.41Å; I1970-V2237 WeakPolarHBondContact O-CG2 3.37Å; I1970-V2237 PolarHBondContact O-N 2.93Å; I1971-V2237 CarbonylContact C-O 3.4Å; I1971-V2237 WeakPolarHBondContact CA-O 3.48Å; I1971-V2237 HydrophobicContact CG1-CB 4.23Å; I1971-V2237 HydrophobicContact CG1-CG2 4.46Å; I1971-V2237 HydrophobicContact CG2-CB 4.5Å; I1971-V2237 HydrophobicContact CG2-CG1 4.39Å; Q1972-V2237 PolarHBondContact N-O 2.9Å; V2207-V2237 HydrophobicContact CB-CG1 4.37Å; V2207-V2237 HydrophobicContact CB-CG2 4.21Å; V2207-V2237 HydrophobicContact CG1-CG1 4.28Å; V2207-V2237 CarbonylContact O-C 3.56Å; V2207-V2237 VanDerWaalsContact O-CA 3.31Å; V2207-V2237 WeakPolarHBondContact O-CA 3.42Å; F2209-V2237 HydrophobicContact CD2-CG1 3.93Å; F2209-V2237 HydrophobicContact CE2-CG1 3.9Å; M2223-V2237 HydrophobicContact CE-CG1 3.94Å; M2223-V2237 HydrophobicContact CG-CG1 3.87Å; M2223-V2237 HydrophobicContact CG-CG2 4.2Å; M2223-V2237 HydrophobicContact SD-CG1 4.07Å; V2235-V2237 HydrophobicContact CG1-CG2 4.2Å |
| 2238 | Y | 91.6 | Very high | 84 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.8 | 176.3 | -62.4 | -82.2 | 0 | 0 | 0 | 110.5 | Q1972 L2081 T2206 V2207 I2208 F2209 N2236 | Q1972-Y2238 HydrophobicContact CB-CD1 4.09Å; Q1972-Y2238 HydrophobicContact CB-CE1 4.42Å; Q1972-Y2238 WeakPolarHBondContact O-CA 3.35Å; L2081-Y2238 HydrophobicContact CD1-CD1 3.69Å; L2081-Y2238 HydrophobicContact CD1-CD2 4.11Å; L2081-Y2238 HydrophobicContact CD1-CE1 3.65Å; L2081-Y2238 HydrophobicContact CD1-CE2 4.08Å; L2081-Y2238 HydrophobicContact CD1-CG 3.91Å; L2081-Y2238 HydrophobicContact CD2-CD1 4.25Å; L2081-Y2238 HydrophobicContact CD2-CD2 4.04Å; L2081-Y2238 HydrophobicContact CD2-CG 3.74Å; L2081-Y2238 HydrophobicContact CG-CD2 4.47Å; L2081-Y2238 HydrophobicContact CG-CG 4.4Å; T2206-Y2238 HydrophobicContact CG2-CD2 3.94Å; T2206-Y2238 HydrophobicContact CG2-CE2 3.82Å; V2207-Y2238 PolarHBondContact O-N 3.22Å; I2208-Y2238 WeakPolarHBondContact CA-O 3.45Å; I2208-Y2238 HydrophobicContact CG1-CD2 4.26Å; F2209-Y2238 PolarHBondContact N-O 3.2Å; N2236-Y2238 HydrophobicContact CB-CE2 3.83Å |
| 2239 | R | 91 | Very high | 83.8 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108 | 174.4 | -67.7 | -168.6 | -61.9 | -163.8 | 1.9 | 110 | I1971 Q1972 D1973 F1974 I2241 | I1971-R2239 HydrophobicContact CG2-CG 4.15Å; Q1972-R2239 PolarHBondContact O-N 3.12Å; D1973-R2239 WeakPolarHBondContact OD1-CB 3.48Å; D1973-R2239 IonicContact OD1-CZ 3.19Å; D1973-R2239 IonicContact OD1-NE 2.84Å; D1973-R2239 PolarHBondContact OD1-NE 2.84Å; D1973-R2239 IonicContact OD1-NH2 2.7Å; D1973-R2239 PolarHBondContact OD1-NH2 3.06Å; D1973-R2239 IonicContact OD2-CZ 2.98Å; D1973-R2239 IonicContact OD2-NH2 3.68Å; D1973-R2239 PolarHBondContact OD2-NH2 2.74Å; F1974-R2239 PolarHBondContact N-O 3.23Å; R2239-I2241 HydrophobicContact CB-CD1 4.24Å; R2239-I2241 HydrophobicContact CB-CG1 4.42Å; R2239-I2241 PolarHBondContact O-N 3.32Å |
| 2240 | L | 92.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.1 | 175.3 | -67 | 160.2 | 0 | 0 | 0 | 109.2 | F1974 A2077 L2078 I2208 F2209 V2210 H2212 | F1974-L2240 HydrophobicContact CB-CD2 4.05Å; F1974-L2240 HydrophobicContact CD1-CD2 3.79Å; F1974-L2240 HydrophobicContact CG-CD2 4.1Å; A2077-L2240 HydrophobicContact CB-CD2 3.67Å; L2078-L2240 HydrophobicContact CB-CD1 4.27Å; L2078-L2240 HydrophobicContact CD1-CD1 4.3Å; I2208-L2240 HydrophobicContact CG2-CD1 3.88Å; I2208-L2240 HydrophobicContact CG2-CG 4.47Å; F2209-L2240 WeakPolarHBondContact O-CB 3.3Å; F2209-L2240 PolarHBondContact O-N 3.08Å; V2210-L2240 HydrophobicContact CB-CD1 4.48Å; V2210-L2240 HydrophobicContact CG2-CD1 3.96Å; H2212-L2240 PolarHBondContact NE2-O 3.46Å |
| 2241 | I | 91.1 | Very high | 84.5 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | -176.3 | -62.9 | 158.3 | 0 | 0 | 0 | 108.6 | D1973 F1974 A1975 C1976 R2239 E2247 M2251 | D1973-I2241 HydrophobicContact CB-CD1 3.91Å; D1973-I2241 WeakPolarHBondContact OD1-CD1 3.31Å; F1974-I2241 PolarHBondContact O-N 3.24Å; F1974-I2241 VanDerWaalsContact O-N 3.1Å; A1975-I2241 CarbonylContact C-O 2.8Å; A1975-I2241 WeakPolarHBondContact CA-O 3.46Å; C1976-I2241 WeakPolarHBondContact CB-O 3.28Å; C1976-I2241 PolarHBondContact N-O 3.29Å; R2239-I2241 HydrophobicContact CB-CD1 4.24Å; R2239-I2241 HydrophobicContact CB-CG1 4.42Å; R2239-I2241 PolarHBondContact O-N 3.32Å; I2241-E2247 HydrophobicContact CG2-CB 4.36Å; I2241-M2251 HydrophobicContact CD1-CG 3.76Å; I2241-M2251 HydrophobicContact CD1-SD 4.07Å; I2241-M2251 HydrophobicContact CG1-CG 4.05Å; I2241-M2251 HydrophobicContact CG1-SD 4.39Å |
| 2242 | T | 89.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.9 | 177.6 | -45.1 | 0 | 0 | 0 | 0 | 110.6 | C1976 M1978 C2037 K2074 S2245 E2247 | C1976-T2242 CarbonylContact O-C 3.44Å; C1976-T2242 VanDerWaalsContact O-CA 3.29Å; C1976-T2242 WeakPolarHBondContact O-CA 3.38Å; M1978-T2242 HydrophobicContact CE-CG2 4.25Å; M1978-T2242 HydrophobicContact CG-CG2 3.49Å; M1978-T2242 VanDerWaalsContact CG-CG2 3.49Å; C2037-T2242 HydrophobicContact CB-CG2 4.36Å; K2074-T2242 VanDerWaalsContact CE-OG1 3.24Å; K2074-T2242 WeakPolarHBondContact CE-OG1 3.49Å; T2242-S2245 VanDerWaalsContact O-CB 3.31Å; T2242-S2245 WeakPolarHBondContact O-CB 3.35Å; T2242-S2245 PolarHBondContact O-OG 2.96Å; T2242-E2247 VanDerWaalsContact CB-OE2 3.31Å; T2242-E2247 WeakPolarHBondContact CB-OE2 3.34Å; T2242-E2247 PolarHBondContact N-OE2 3.32Å; T2242-E2247 VanDerWaalsContact N-OE2 3.12Å; T2242-E2247 PolarHBondContact OG1-OE2 2.84Å |
| 2243 | E | 85 | Confident | 83.7 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 31% | 0.313 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 151.1 | 176.7 | -65.5 | 176.4 | 179.5 | 0 | 0 | 111.2 | A1975 C1976 K1977 S2245 | A1975-E2243 HydrophobicContact CB-CG 3.91Å; A1975-E2243 VanDerWaalsContact CB-OE1 3.31Å; A1975-E2243 WeakPolarHBondContact CB-OE1 3.32Å; C1976-E2243 PolarHBondContact O-N 3.35Å; K1977-E2243 WeakPolarHBondContact CE-OE2 3.23Å; K1977-E2243 WeakPolarHBondContact CG-OE2 3.25Å; E2243-S2245 VanDerWaalsContact C-N 3.26Å; E2243-S2245 PolarHBondContact O-N 3.16Å |
| 2244 | D | 80.3 | Confident | 83.3 | Confident | 135 Ų | 135 | 29 Ų | 29 | 72% | 0.722 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.3 | 178.7 | -61.7 | -45.4 | 0 | 0 | 0 | 113.8 | M1978 | M1978-D2244 WeakPolarHBondContact CE-O 3.44Š|
| 2245 | S | 83.8 | Confident | 82.7 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -134.7 | 168.1 | -168.7 | 89.6 | 0 | 0 | 0 | 0 | 115.1 | M1978 T2242 E2243 E2247 E2248 | M1978-S2245 VanDerWaalsContact CE-CB 3.47Å; T2242-S2245 VanDerWaalsContact O-CB 3.31Å; T2242-S2245 WeakPolarHBondContact O-CB 3.35Å; T2242-S2245 PolarHBondContact O-OG 2.96Å; E2243-S2245 VanDerWaalsContact C-N 3.26Å; E2243-S2245 PolarHBondContact O-N 3.16Å; S2245-E2247 PolarHBondContact O-N 3.22Å; S2245-E2247 VanDerWaalsContact O-N 3.08Å; S2245-E2247 WeakPolarHBondContact OG-CB 3.49Å; S2245-E2247 PolarHBondContact OG-N 2.96Å; S2245-E2248 PolarHBondContact O-N 3.03Å |
| 2246 | I | 83.5 | Confident | 81.5 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.1 | -23.3 | 169.9 | -165.2 | 166.8 | 0 | 0 | 0 | 113.7 | Y1986 L2030 F2033 Q2034 W2214 Q2249 I2250 | Y1986-I2246 PolarHBondContact OH-N 3.35Å; L2030-I2246 HydrophobicContact CB-CD1 4.24Å; L2030-I2246 HydrophobicContact CD2-CD1 3.52Å; L2030-I2246 HydrophobicContact CG-CD1 4.47Å; F2033-I2246 HydrophobicContact CB-CB 4.25Å; F2033-I2246 HydrophobicContact CB-CD1 4Å; F2033-I2246 HydrophobicContact CB-CG2 3.84Å; F2033-I2246 HydrophobicContact CD2-CD1 4.36Å; Q2034-I2246 HydrophobicContact CG-CG2 4.16Å; W2214-I2246 HydrophobicContact CH2-CD1 4.42Å; W2214-I2246 HydrophobicContact CH2-CG1 4.45Å; W2214-I2246 HydrophobicContact CZ2-CD1 4.42Å; I2246-Q2249 WeakPolarHBondContact O-CB 3.16Å; I2246-Q2249 PolarHBondContact O-N 2.99Å; I2246-I2250 HydrophobicContact CG1-CD1 4.47Å; I2246-I2250 VanDerWaalsContact O-CG1 3.3Å; I2246-I2250 WeakPolarHBondContact O-CG1 3.16Å; I2246-I2250 PolarHBondContact O-N 3.16Å |
| 2247 | E | 84.2 | Confident | 80.3 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.7 | -34.6 | -178.2 | -53.7 | -161.9 | 122.6 | 0 | 0 | 112.5 | C2037 K2074 I2241 T2242 S2245 Q2249 I2250 M2251 | C2037-E2247 HydrophobicContact CB-CG 4.13Å; K2074-E2247 WeakPolarHBondContact CE-OE2 3.39Å; K2074-E2247 IonicContact NZ-OE1 3.55Å; K2074-E2247 PolarHBondContact NZ-OE1 2.89Å; K2074-E2247 IonicContact NZ-OE2 2.99Å; K2074-E2247 PolarHBondContact NZ-OE2 2.92Å; I2241-E2247 HydrophobicContact CG2-CB 4.36Å; T2242-E2247 VanDerWaalsContact CB-OE2 3.31Å; T2242-E2247 WeakPolarHBondContact CB-OE2 3.34Å; T2242-E2247 PolarHBondContact N-OE2 3.32Å; T2242-E2247 VanDerWaalsContact N-OE2 3.12Å; T2242-E2247 PolarHBondContact OG1-OE2 2.84Å; S2245-E2247 PolarHBondContact O-N 3.22Å; S2245-E2247 VanDerWaalsContact O-N 3.08Å; S2245-E2247 WeakPolarHBondContact OG-CB 3.49Å; S2245-E2247 PolarHBondContact OG-N 2.96Å; E2247-Q2249 VanDerWaalsContact C-N 3.33Å; E2247-I2250 WeakPolarHBondContact O-CB 3.45Å; E2247-I2250 PolarHBondContact O-N 2.96Å; E2247-M2251 WeakPolarHBondContact O-CG 3.38Å; E2247-M2251 PolarHBondContact O-N 2.98Å |
| 2248 | E | 82.7 | Confident | 79.2 | Confident | 57 Ų | 57 | 34.4 Ų | 34.4 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 172 | -166.9 | -178.3 | 162.2 | 0 | 0 | 111 | S2245 I2250 M2251 N2252 | S2245-E2248 PolarHBondContact O-N 3.03Å; E2248-I2250 VanDerWaalsContact C-N 3.32Å; E2248-I2250 PolarHBondContact O-N 3.49Å; E2248-M2251 PolarHBondContact O-N 2.92Å; E2248-N2252 PolarHBondContact O-N 3.45Å; E2248-N2252 PolarHBondContact O-ND2 3.03Å |
| 2249 | Q | 72.5 | Confident | 77.8 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 172.2 | -58.5 | -178.8 | -6.6 | 0 | 0 | 112 | I2246 E2247 N2252 L2253 L2284 | I2246-Q2249 WeakPolarHBondContact O-CB 3.16Å; I2246-Q2249 PolarHBondContact O-N 2.99Å; E2247-Q2249 VanDerWaalsContact C-N 3.33Å; Q2249-N2252 PolarHBondContact O-N 3.44Å; Q2249-L2253 WeakPolarHBondContact O-CG 3.28Å; Q2249-L2253 PolarHBondContact O-N 3.42Å; Q2249-L2284 HydrophobicContact CG-CD2 4.5Å |
| 2250 | I | 79.4 | Confident | 76.2 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 174.9 | -67.6 | 164.5 | 0 | 0 | 0 | 110.6 | Q2034 D2213 W2214 I2246 E2247 E2248 L2253 Q2254 | Q2034-I2250 HydrophobicContact CG-CD1 4.33Å; Q2034-I2250 VanDerWaalsContact NE2-CD1 3.27Å; D2213-I2250 WeakPolarHBondContact O-CG2 3.48Å; W2214-I2250 HydrophobicContact CD2-CD1 4.27Å; W2214-I2250 HydrophobicContact CD2-CG1 3.89Å; W2214-I2250 HydrophobicContact CE3-CG1 3.9Å; W2214-I2250 HydrophobicContact CH2-CD1 4.11Å; W2214-I2250 HydrophobicContact CH2-CG1 3.66Å; W2214-I2250 HydrophobicContact CZ2-CD1 3.59Å; W2214-I2250 HydrophobicContact CZ2-CG1 3.64Å; W2214-I2250 HydrophobicContact CZ3-CG1 3.79Å; I2246-I2250 HydrophobicContact CG1-CD1 4.47Å; I2246-I2250 VanDerWaalsContact O-CG1 3.3Å; I2246-I2250 WeakPolarHBondContact O-CG1 3.16Å; I2246-I2250 PolarHBondContact O-N 3.16Å; E2247-I2250 WeakPolarHBondContact O-CB 3.45Å; E2247-I2250 PolarHBondContact O-N 2.96Å; E2248-I2250 VanDerWaalsContact C-N 3.32Å; E2248-I2250 PolarHBondContact O-N 3.49Å; I2250-L2253 PolarHBondContact O-N 3.33Å; I2250-Q2254 WeakPolarHBondContact O-CG 3.44Å; I2250-Q2254 PolarHBondContact O-N 3.44Å |
| 2251 | M | 80 | Confident | 74.6 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.7 | -66.5 | -62.8 | 94.6 | 0 | 0 | 112.4 | H2212 I2241 E2247 E2248 L2253 Q2254 A2255 | H2212-M2251 HydrophobicContact CB-CE 3.39Å; H2212-M2251 VanDerWaalsContact CG-CE 3.47Å; I2241-M2251 HydrophobicContact CD1-CG 3.76Å; I2241-M2251 HydrophobicContact CD1-SD 4.07Å; I2241-M2251 HydrophobicContact CG1-CG 4.05Å; I2241-M2251 HydrophobicContact CG1-SD 4.39Å; E2247-M2251 WeakPolarHBondContact O-CG 3.38Å; E2247-M2251 PolarHBondContact O-N 2.98Å; E2248-M2251 PolarHBondContact O-N 2.92Å; M2251-L2253 PolarHBondContact O-N 3.02Å; M2251-Q2254 HydrophobicContact CE-CG 4.17Å; M2251-Q2254 WeakPolarHBondContact O-CB 3.27Å; M2251-Q2254 PolarHBondContact O-N 3.44Å; M2251-A2255 PolarHBondContact O-N 2.85Å |
| 2252 | N | 73.1 | Confident | 73.2 | Confident | 42 Ų | 42 | 36.9 Ų | 36.9 | 23% | 0.225 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 175.3 | -73.6 | -38.5 | 0 | 0 | 0 | 112.2 | E2248 Q2249 A2255 F2256 | E2248-N2252 PolarHBondContact O-N 3.45Å; E2248-N2252 PolarHBondContact O-ND2 3.03Å; Q2249-N2252 PolarHBondContact O-N 3.44Å; N2252-A2255 PolarHBondContact O-N 2.97Å; N2252-F2256 PolarHBondContact O-N 3.35Å; N2252-F2256 VanDerWaalsContact O-N 3.11Å |
| 2253 | L | 69.2 | Low | 71.4 | Confident | 54 Ų | 54 | 37.1 Ų | 37.1 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69 | -30.9 | 174.1 | -72.5 | 169.2 | 0 | 0 | 0 | 113.3 | W2214 Q2249 I2250 M2251 K2257 | W2214-L2253 HydrophobicContact CE3-CD1 4.08Å; W2214-L2253 HydrophobicContact CZ3-CD1 3.7Å; Q2249-L2253 WeakPolarHBondContact O-CG 3.28Å; Q2249-L2253 PolarHBondContact O-N 3.42Å; I2250-L2253 PolarHBondContact O-N 3.33Å; M2251-L2253 PolarHBondContact O-N 3.02Å; L2253-K2257 WeakPolarHBondContact O-CG 3.39Å; L2253-K2257 PolarHBondContact O-N 3.31Å |
| 2254 | Q | 74.5 | Confident | 70.2 | Confident | 9 Ų | 9 | 34.4 Ų | 34.4 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 171.8 | -80.4 | -155.9 | 4.2 | 0 | 0 | 111.1 | D2213 P2216 D2219 I2250 M2251 F2256 K2257 L2258 | D2213-Q2254 PolarHBondContact O-NE2 3.49Å; P2216-Q2254 HydrophobicContact CB-CB 3.91Å; P2216-Q2254 HydrophobicContact CB-CG 3.96Å; P2216-Q2254 HydrophobicContact CG-CB 4.3Å; P2216-Q2254 HydrophobicContact CG-CG 4.43Å; D2219-Q2254 PolarHBondContact OD2-NE2 3.23Å; I2250-Q2254 WeakPolarHBondContact O-CG 3.44Å; I2250-Q2254 PolarHBondContact O-N 3.44Å; M2251-Q2254 HydrophobicContact CE-CG 4.17Å; M2251-Q2254 WeakPolarHBondContact O-CB 3.27Å; M2251-Q2254 PolarHBondContact O-N 3.44Å; Q2254-F2256 VanDerWaalsContact C-N 3.33Å; Q2254-F2256 PolarHBondContact O-N 3.36Å; Q2254-K2257 PolarHBondContact O-N 2.95Å; Q2254-L2258 PolarHBondContact O-N 3.05Å; Q2254-L2258 VanDerWaalsContact O-N 3.16Å |
| 2255 | A | 68.6 | Low | 69.1 | Low | 27 Ų | 27 | 28.9 Ų | 28.9 | 22% | 0.223 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.8 | -44.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M2251 N2252 K2257 L2258 H2259 | M2251-A2255 PolarHBondContact O-N 2.85Å; N2252-A2255 PolarHBondContact O-N 2.97Å; A2255-K2257 PolarHBondContact O-N 2.91Å; A2255-L2258 PolarHBondContact O-N 3.44Å; A2255-H2259 PolarHBondContact O-N 3.34Å |
| 2256 | F | 60.9 | Low | 67.8 | Low | 60 Ų | 60 | 31.4 Ų | 31.4 | 26% | 0.263 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 175.7 | 174.6 | -113.5 | 0 | 0 | 0 | 113.3 | N2252 Q2254 H2259 L2260 M2275 T2277 | N2252-F2256 PolarHBondContact O-N 3.35Å; N2252-F2256 VanDerWaalsContact O-N 3.11Å; Q2254-F2256 VanDerWaalsContact C-N 3.33Å; Q2254-F2256 PolarHBondContact O-N 3.36Å; F2256-H2259 PolarHBondContact O-N 2.75Å; F2256-L2260 HydrophobicContact CZ-CD2 4.48Å; F2256-L2260 WeakPolarHBondContact O-CB 3.49Å; F2256-L2260 PolarHBondContact O-N 2.59Å; F2256-M2275 HydrophobicContact CD2-CE 3.54Å; F2256-M2275 HydrophobicContact CD2-SD 3.85Å; F2256-M2275 HydrophobicContact CE2-CB 4.45Å; F2256-M2275 HydrophobicContact CE2-CE 4.12Å; F2256-M2275 HydrophobicContact CE2-SD 4.3Å; F2256-T2277 HydrophobicContact CZ-CG2 4.14Å |
| 2257 | K | 63.8 | Low | 66.2 | Low | 47 Ų | 47 | 34.6 Ų | 34.6 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | -179.9 | -72.6 | 170.8 | -173 | 173.3 | 0 | 112.6 | W2214 P2216 L2253 Q2254 A2255 A2261 | W2214-K2257 PolarHBondContact O-NZ 3.39Å; P2216-K2257 HydrophobicContact CG-CB 4.06Å; L2253-K2257 WeakPolarHBondContact O-CG 3.39Å; L2253-K2257 PolarHBondContact O-N 3.31Å; Q2254-K2257 PolarHBondContact O-N 2.95Å; A2255-K2257 PolarHBondContact O-N 2.91Å; K2257-A2261 WeakPolarHBondContact O-CB 3.46Å; K2257-A2261 PolarHBondContact O-N 3.24Å |
| 2258 | L | 66.5 | Low | 64.4 | Low | 55 Ų | 55 | 38.3 Ų | 38.3 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.9 | -69.1 | 175.9 | 0 | 0 | 0 | 111.6 | P2216 L2220 Q2254 A2255 A2261 N2262 | P2216-L2258 HydrophobicContact CB-CD1 3.89Å; P2216-L2258 HydrophobicContact CB-CD2 3.92Å; P2216-L2258 HydrophobicContact CB-CG 3.75Å; P2216-L2258 HydrophobicContact CG-CD1 4.39Å; P2216-L2258 HydrophobicContact CG-CD2 3.83Å; P2216-L2258 HydrophobicContact CG-CG 3.7Å; L2220-L2258 HydrophobicContact CD1-CD1 4.11Å; L2220-L2258 HydrophobicContact CD1-CD2 3.65Å; Q2254-L2258 PolarHBondContact O-N 3.05Å; Q2254-L2258 VanDerWaalsContact O-N 3.16Å; A2255-L2258 PolarHBondContact O-N 3.44Å; L2258-A2261 PolarHBondContact O-N 3.32Å; L2258-N2262 PolarHBondContact O-N 3.15Å |
| 2259 | H | 62.6 | Low | 62.5 | Low | 29 Ų | 29 | 37.5 Ų | 37.5 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -52.2 | 177.6 | -170.5 | 63.2 | 0 | 0 | 0 | 111.1 | A2255 F2256 A2261 N2262 T2263 | A2255-H2259 PolarHBondContact O-N 3.34Å; F2256-H2259 PolarHBondContact O-N 2.75Å; H2259-A2261 VanDerWaalsContact C-N 3.26Å; H2259-A2261 PolarHBondContact O-N 3.15Å; H2259-N2262 PolarHBondContact O-N 2.87Å; H2259-N2262 VanDerWaalsContact O-N 3.09Å; H2259-T2263 WeakPolarHBondContact O-CB 3.42Å; H2259-T2263 PolarHBondContact O-N 2.7Å; H2259-T2263 PolarHBondContact O-OG1 2.84Å |
| 2260 | L | 56.1 | Low | 61.1 | Low | 32 Ų | 32 | 39.3 Ų | 39.3 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -36.7 | 177.3 | -177 | 63.3 | 0 | 0 | 0 | 113 | N1892 F2256 | N1892-L2260 WeakPolarHBondContact O-CD2 3.42Å; F2256-L2260 HydrophobicContact CZ-CD2 4.48Å; F2256-L2260 WeakPolarHBondContact O-CB 3.49Å; F2256-L2260 PolarHBondContact O-N 2.59Å |
| 2261 | A | 59.2 | Low | 59.5 | Low | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -50.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1890 K2257 L2258 H2259 T2263 L2265 | I1890-A2261 WeakPolarHBondContact O-CB 3.45Å; K2257-A2261 WeakPolarHBondContact O-CB 3.46Å; K2257-A2261 PolarHBondContact O-N 3.24Å; L2258-A2261 PolarHBondContact O-N 3.32Å; H2259-A2261 VanDerWaalsContact C-N 3.26Å; H2259-A2261 PolarHBondContact O-N 3.15Å; A2261-T2263 PolarHBondContact O-N 2.91Å; A2261-L2265 WeakPolarHBondContact O-CD1 3.35Å; A2261-L2265 WeakPolarHBondContact O-CG 3.42Å |
| 2262 | N | 61.8 | Low | 57.7 | Low | 74 Ų | 74 | 40.2 Ų | 40.2 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 179.7 | -76.9 | -22.5 | 0 | 0 | 0 | 112.1 | R1956 L2258 H2259 V2264 L2265 T2266 | R1956-N2262 PolarHBondContact NH2-OD1 2.82Å; L2258-N2262 PolarHBondContact O-N 3.15Å; H2259-N2262 PolarHBondContact O-N 2.87Å; H2259-N2262 VanDerWaalsContact O-N 3.09Å; N2262-V2264 VanDerWaalsContact C-N 3.32Å; N2262-V2264 PolarHBondContact O-N 3.48Å; N2262-L2265 PolarHBondContact O-N 3.08Å; N2262-T2266 PolarHBondContact O-N 3.01Å; N2262-T2266 VanDerWaalsContact O-N 3.11Å; N2262-T2266 PolarHBondContact O-OG1 2.83Å; N2262-T2266 VanDerWaalsContact O-OG1 3.07Å |
| 2263 | T | 53 | Low | 56.3 | Low | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -33.5 | -175.7 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | H2259 A2261 L2265 L2272 | H2259-T2263 WeakPolarHBondContact O-CB 3.42Å; H2259-T2263 PolarHBondContact O-N 2.7Å; H2259-T2263 PolarHBondContact O-OG1 2.84Å; A2261-T2263 PolarHBondContact O-N 2.91Å; T2263-L2265 VanDerWaalsContact C-N 3.34Å; T2263-L2272 HydrophobicContact CG2-CB 4.26Å; T2263-L2272 HydrophobicContact CG2-CD1 4.41Å; T2263-L2272 HydrophobicContact CG2-CD2 3.32Å; T2263-L2272 HydrophobicContact CG2-CG 3.34Å |
| 2264 | V | 58.3 | Low | 55.1 | Low | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.8 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | I1890 H1947 N2262 | I1890-V2264 HydrophobicContact CD1-CB 3.76Å; I1890-V2264 HydrophobicContact CD1-CG1 3.4Å; I1890-V2264 VanDerWaalsContact CD1-CG1 3.4Å; H1947-V2264 PolarHBondContact CE1-O 3.13Å; H1947-V2264 VanDerWaalsContact CE1-O 3.24Å; H1947-V2264 PolarHBondContact NE2-O 2.83Å; N2262-V2264 VanDerWaalsContact C-N 3.32Å; N2262-V2264 PolarHBondContact O-N 3.48Å |
| 2265 | L | 58.7 | Low | 53.4 | Low | 20 Ų | 20 | 41.3 Ų | 41.3 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -17.2 | -172.2 | -64.9 | 174.8 | 0 | 0 | 0 | 114.4 | P1889 I1890 M1954 R1956 A2261 N2262 T2263 | P1889-L2265 HydrophobicContact CB-CD2 4.33Å; P1889-L2265 HydrophobicContact CG-CD1 3.48Å; P1889-L2265 VanDerWaalsContact CG-CD1 3.48Å; P1889-L2265 HydrophobicContact CG-CD2 3.57Å; P1889-L2265 HydrophobicContact CG-CG 4.17Å; I1890-L2265 HydrophobicContact CD1-CD2 3.85Å; I1890-L2265 HydrophobicContact CD1-CG 4.39Å; I1890-L2265 HydrophobicContact CG1-CD2 4.13Å; M1954-L2265 HydrophobicContact CE-CD2 3.59Å; R1956-L2265 VanDerWaalsContact NH1-CB 3.32Å; A2261-L2265 WeakPolarHBondContact O-CD1 3.35Å; A2261-L2265 WeakPolarHBondContact O-CG 3.42Å; N2262-L2265 PolarHBondContact O-N 3.08Å; T2263-L2265 VanDerWaalsContact C-N 3.34Å |
| 2266 | T | 55.9 | Low | 52.1 | Low | 57 Ų | 57 | 44 Ų | 44 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -87.4 | 146.4 | 174.1 | -43 | 0 | 0 | 0 | 0 | 109.1 | N2262 D2268 | N2262-T2266 PolarHBondContact O-N 3.01Å; N2262-T2266 VanDerWaalsContact O-N 3.11Å; N2262-T2266 PolarHBondContact O-OG1 2.83Å; N2262-T2266 VanDerWaalsContact O-OG1 3.07Å; T2266-D2268 HydrophobicContact CG2-CB 4.32Å; T2266-D2268 PolarHBondContact O-N 2.64Å |
| 2267 | A | 49.3 | Very low | 51.2 | Low | 72 Ų | 72 | 45 Ų | 45 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65.9 | -23 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N2269 | A2267-N2269 VanDerWaalsContact C-N 3.32Å; A2267-N2269 PolarHBondContact O-N 2.99Å |
| 2268 | D | 46.3 | Very low | 50.1 | Low | 84 Ų | 84 | 44 Ų | 44 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | trans | -77.3 | 77.8 | 179.1 | -56.6 | -50.1 | 0 | 0 | 0 | 111.2 | T2266 K2270 | T2266-D2268 HydrophobicContact CG2-CB 4.32Å; T2266-D2268 PolarHBondContact O-N 2.64Å; D2268-K2270 PolarHBondContact O-N 3.45Å | ||
| 2269 | N | 42.4 | Very low | 49 | Very low | 40 Ų | 40 | 47.3 Ų | 47.3 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 12.3 | 178.7 | -80.4 | -31 | 0 | 0 | 0 | 115.5 | L1943 H1947 A2267 | L1943-N2269 HydrophobicContact CD2-CB 3.86Å; L1943-N2269 VanDerWaalsContact CD2-CG 3.45Å; L1943-N2269 WeakPolarHBondContact CD2-OD1 3.42Å; H1947-N2269 PolarHBondContact CE1-OD1 2.88Å; H1947-N2269 PolarHBondContact ND1-OD1 2.8Å; H1947-N2269 VanDerWaalsContact ND1-OD1 3.15Å; A2267-N2269 VanDerWaalsContact C-N 3.32Å; A2267-N2269 PolarHBondContact O-N 2.99Å |
| 2270 | K | 44.4 | Very low | 47.9 | Very low | 83 Ų | 83 | 49.3 Ų | 49.3 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -21.2 | -170.8 | -63.7 | 176.3 | 165.3 | -159.5 | 0 | 113 | A23 E26 D2268 L2272 | A23-K2270 WeakPolarHBondContact CB-O 3.41Å; E26-K2270 HydrophobicContact CB-CB 4.27Å; E26-K2270 HydrophobicContact CB-CD 4.1Å; E26-K2270 VanDerWaalsContact CD-CD 3.43Å; E26-K2270 VanDerWaalsContact CD-CE 3.49Å; E26-K2270 VanDerWaalsContact CD-NZ 3.33Å; E26-K2270 HydrophobicContact CG-CD 4.13Å; E26-K2270 WeakPolarHBondContact OE1-CE 3.39Å; E26-K2270 IonicContact OE1-NZ 3.81Å; E26-K2270 PolarHBondContact OE1-NZ 3.13Å; E26-K2270 VanDerWaalsContact OE2-CD 3.23Å; E26-K2270 WeakPolarHBondContact OE2-CD 3.5Å; E26-K2270 VanDerWaalsContact OE2-CG 3.27Å; E26-K2270 WeakPolarHBondContact OE2-CG 3.26Å; E26-K2270 IonicContact OE2-NZ 3.69Å; D2268-K2270 PolarHBondContact O-N 3.45Å; K2270-L2272 VanDerWaalsContact C-N 3.27Å; K2270-L2272 PolarHBondContact O-N 3.27Å |
| 2271 | S | 45.4 | Very low | 46.8 | Very low | 13 Ų | 13 | 49.6 Ų | 49.6 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -76 | -2.8 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | Q27 N2273 | Q27-S2271 VanDerWaalsContact CD-CA 3.44Å; Q27-S2271 VanDerWaalsContact CD-CB 3.47Å; S2271-N2273 VanDerWaalsContact C-N 3.27Å; S2271-N2273 PolarHBondContact O-N 2.92Å |
| 2272 | L | 41.5 | Very low | 46 | Very low | 22 Ų | 22 | 53.7 Ų | 53.7 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -75.5 | -5 | -169.2 | -91.7 | 167.6 | 0 | 0 | 0 | 117 | R1927 L1943 T2263 K2270 | R1927-L2272 VanDerWaalsContact NH2-CD2 3.33Å; L1943-L2272 HydrophobicContact CD1-CD1 4.07Å; L1943-L2272 HydrophobicContact CD2-CD1 3.13Å; L1943-L2272 HydrophobicContact CG-CD1 4.22Å; T2263-L2272 HydrophobicContact CG2-CB 4.26Å; T2263-L2272 HydrophobicContact CG2-CD1 4.41Å; T2263-L2272 HydrophobicContact CG2-CD2 3.32Å; T2263-L2272 HydrophobicContact CG2-CG 3.34Å; K2270-L2272 VanDerWaalsContact C-N 3.27Å; K2270-L2272 PolarHBondContact O-N 3.27Å |
| 2273 | N | 43.8 | Very low | 44.7 | Very low | 51 Ų | 51 | 56.3 Ų | 56.3 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -103.1 | 7.7 | -161.6 | -77.3 | -1.9 | 0 | 0 | 0 | 114.2 | S19 L20 A23 S2271 | S19-N2273 PolarHBondContact O-ND2 2.83Å; S19-N2273 VanDerWaalsContact O-ND2 3.14Å; L20-N2273 HydrophobicContact CD2-CB 3.45Å; L20-N2273 VanDerWaalsContact CD2-CB 3.45Å; L20-N2273 VanDerWaalsContact CD2-CG 3.41Å; A23-N2273 HydrophobicContact CB-CB 3.66Å; A23-N2273 WeakPolarHBondContact CB-ND2 3.41Å; S2271-N2273 VanDerWaalsContact C-N 3.27Å; S2271-N2273 PolarHBondContact O-N 2.92Å |
| 2274 | E | 44.8 | Very low | 43.8 | Very low | 20 Ų | 20 | 58.8 Ų | 58.8 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -107.6 | -12.1 | -158.1 | -123.3 | -175.3 | -94.4 | 0 | 0 | 116.9 | R4 L8 L11 Q27 | R4-E2274 VanDerWaalsContact CG-OE2 3.27Å; R4-E2274 WeakPolarHBondContact CG-OE2 3.15Å; R4-E2274 IonicContact CZ-OE1 3.02Å; R4-E2274 IonicContact CZ-OE2 2.98Å; R4-E2274 IonicContact NE-OE1 2.84Å; R4-E2274 IonicContact NE-OE2 3.83Å; R4-E2274 PolarHBondContact NE-OE2 3.43Å; R4-E2274 IonicContact NH2-OE1 3.56Å; R4-E2274 PolarHBondContact NH2-OE1 3.16Å; R4-E2274 IonicContact NH2-OE2 3.62Å; L8-E2274 HydrophobicContact CD2-CG 3.89Å; L8-E2274 WeakPolarHBondContact CD2-OE1 3.28Å; L8-E2274 HydrophobicContact CG-CG 4.37Å; L11-E2274 HydrophobicContact CD1-CG 4.02Å; Q27-E2274 WeakPolarHBondContact CG-OE1 3.26Å |
| 2275 | M | 39.1 | Very low | 42.7 | Very low | 58 Ų | 58 | 61.9 Ų | 61.9 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | trans | -133.4 | 99 | -168.7 | -66.8 | -160.8 | 69.4 | 0 | 0 | 114.6 | F2256 L2280 | F2256-M2275 HydrophobicContact CD2-CE 3.54Å; F2256-M2275 HydrophobicContact CD2-SD 3.85Å; F2256-M2275 HydrophobicContact CE2-CB 4.45Å; F2256-M2275 HydrophobicContact CE2-CE 4.12Å; F2256-M2275 HydrophobicContact CE2-SD 4.3Å; M2275-L2280 HydrophobicContact CE-CD1 4.16Å | ||
| 2276 | D | 41.4 | Very low | 41.5 | Very low | 84 Ų | 84 | 67.7 Ų | 67.7 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | trans | -68.4 | 135.6 | 159.3 | 173.3 | 39 | 0 | 0 | 0 | 111 | G2278 H2279 | D2276-G2278 VanDerWaalsContact CG-N 3.29Å; D2276-G2278 PolarHBondContact OD1-N 3.42Å; D2276-G2278 WeakPolarHBondContact OD2-CA 3.4Å; D2276-G2278 PolarHBondContact OD2-N 3.05Å; D2276-H2279 WeakPolarHBondContact OD2-CB 3.48Å; D2276-H2279 IonicContact OD2-CD2 2.77Å; D2276-H2279 PolarHBondContact OD2-CD2 3.19Å; D2276-H2279 IonicContact OD2-CG 3.36Å; D2276-H2279 PolarHBondContact OD2-N 3.13Å; D2276-H2279 IonicContact OD2-ND1 3.46Å; D2276-H2279 IonicContact OD2-NE2 2.75Å | ||
| 2277 | T | 40.6 | Very low | 40.5 | Very low | 81 Ų | 81 | 71.8 Ų | 71.8 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -81.5 | -15.9 | 176.2 | 38.9 | 0 | 0 | 0 | 0 | 113.9 | F2256 F2281 | F2256-T2277 HydrophobicContact CZ-CG2 4.14Å; T2277-F2281 WeakPolarHBondContact O-CD2 3.39Å |
| 2278 | G | 40.2 | Very low | 39.9 | Very low | 26 Ų | 26 | 73.4 Ų | 73.4 | 27% | 0.268 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -77.3 | -57.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D2276 L2280 F2281 | D2276-G2278 VanDerWaalsContact CG-N 3.29Å; D2276-G2278 PolarHBondContact OD1-N 3.42Å; D2276-G2278 WeakPolarHBondContact OD2-CA 3.4Å; D2276-G2278 PolarHBondContact OD2-N 3.05Å; G2278-L2280 PolarHBondContact O-N 3.42Å; G2278-F2281 PolarHBondContact O-N 2.58Å |
| 2279 | H | 44.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 74.2 Ų | 74.2 | 57% | 0.569 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.3 | -11.9 | -170.1 | -75.4 | -37.7 | 0 | 0 | 0 | 116.9 | D2276 D2282 | D2276-H2279 WeakPolarHBondContact OD2-CB 3.48Å; D2276-H2279 IonicContact OD2-CD2 2.77Å; D2276-H2279 PolarHBondContact OD2-CD2 3.19Å; D2276-H2279 IonicContact OD2-CG 3.36Å; D2276-H2279 PolarHBondContact OD2-N 3.13Å; D2276-H2279 IonicContact OD2-ND1 3.46Å; D2276-H2279 IonicContact OD2-NE2 2.75Å; H2279-D2282 IonicContact ND1-OD2 3.56Å |
| 2280 | L | 38.8 | Very low | 38.7 | Very low | 71 Ų | 71 | 75 Ų | 75 | 37% | 0.372 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -83.1 | -22.7 | 176.3 | -143.3 | 147.6 | 0 | 0 | 0 | 112.3 | M2275 G2278 | M2275-L2280 HydrophobicContact CE-CD1 4.16Å; G2278-L2280 PolarHBondContact O-N 3.42Å |
| 2281 | F | 34.9 | Very low | 38 | Very low | 38 Ų | 38 | 80.7 Ų | 80.7 | 17% | 0.167 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -90.7 | -32.3 | 177.3 | -67.7 | -82.5 | 0 | 0 | 0 | 112.9 | V2002 S2006 T2277 G2278 R2283 L2284 | V2002-F2281 HydrophobicContact CG1-CD1 4.09Å; V2002-F2281 HydrophobicContact CG1-CE1 3.88Å; V2002-F2281 WeakPolarHBondContact O-CD1 3.32Å; V2002-F2281 WeakPolarHBondContact O-CE1 3.13Å; S2006-F2281 WeakPolarHBondContact OG-CD2 3.33Å; S2006-F2281 WeakPolarHBondContact OG-CE2 3.38Å; S2006-F2281 VanDerWaalsContact OG-CZ 3.22Å; S2006-F2281 WeakPolarHBondContact OG-CZ 3.37Å; T2277-F2281 WeakPolarHBondContact O-CD2 3.39Å; G2278-F2281 PolarHBondContact O-N 2.58Å; F2281-R2283 PolarHBondContact O-N 3.32Å; F2281-L2284 HydrophobicContact CD1-CD1 4.1Å; F2281-L2284 WeakPolarHBondContact O-CB 3.33Å; F2281-L2284 PolarHBondContact O-N 3.38Å |
| 2282 | D | 40.8 | Very low | 37.1 | Very low | 94 Ų | 94 | 89.1 Ų | 89.1 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.8 | -30.6 | 175.6 | -64.5 | -30.9 | 0 | 0 | 0 | 112.7 | H2279 L2284 T2285 | H2279-D2282 IonicContact ND1-OD2 3.56Å; D2282-L2284 VanDerWaalsContact C-N 3.29Å; D2282-L2284 PolarHBondContact O-N 3.45Å; D2282-T2285 PolarHBondContact O-OG1 3.01Å |
| 2283 | R | 34.8 | Very low | 36.4 | Very low | 130 Ų | 130 | 93 Ų | 93 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.4 | 177.8 | -64.5 | -179.2 | -173.6 | -172.4 | -1 | 114.1 | T2 F2281 | T2-R2283 PolarHBondContact OG1-NH1 3.44Å; F2281-R2283 PolarHBondContact O-N 3.32Å |
| 2284 | L | 34.5 | Very low | 35.7 | Very low | 58 Ų | 58 | 102.3 Ų | 102.3 | 30% | 0.304 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10.4 | 179.7 | -64.6 | 173.7 | 0 | 0 | 0 | 112.8 | Q2249 F2281 D2282 | Q2249-L2284 HydrophobicContact CG-CD2 4.5Å; F2281-L2284 HydrophobicContact CD1-CD1 4.1Å; F2281-L2284 WeakPolarHBondContact O-CB 3.33Å; F2281-L2284 PolarHBondContact O-N 3.38Å; D2282-L2284 VanDerWaalsContact C-N 3.29Å; D2282-L2284 PolarHBondContact O-N 3.45Å |
| 2285 | T | 34.5 | Very low | 34.8 | Very low | 75 Ų | 75 | 108.4 Ų | 108.4 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -29 | -179.1 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | D2282 N2287 | D2282-T2285 PolarHBondContact O-OG1 3.01Å; T2285-N2287 PolarHBondContact O-N 2.92Å |
| 2286 | E | 34.8 | Very low | 34.3 | Very low | 142 Ų | 142 | 113.2 Ų | 113.2 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -76 | -14 | -172.6 | -65.8 | -170.5 | 138.6 | 0 | 0 | 115.9 | ||
| 2287 | N | 35.3 | Very low | 33.6 | Very low | 143 Ų | 143 | 117 Ų | 117 | 77% | 0.765 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -82.5 | -12.3 | -168.8 | -96.3 | -2.3 | 0 | 0 | 0 | 116.5 | T2285 | T2285-N2287 PolarHBondContact O-N 2.92Š|
| 2288 | N | 35.4 | Very low | 33 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -87.4 | -15.3 | -167.5 | -78.8 | -52.5 | 0 | 0 | 0 | 116.3 | ||
| 2289 | D | 33.5 | Very low | 32.5 | Very low | 101 Ų | 101 | 125 Ų | 125 | 54% | 0.54 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -103.1 | 6.1 | -163.8 | -68.5 | -28.4 | 0 | 0 | 0 | 115.8 | Q233 | Q233-D2289 HydrophobicContact CG-CB 3.94Å; Q233-D2289 VanDerWaalsContact NE2-CB 3.26Å; Q233-D2289 PolarHBondContact NE2-OD2 3.16Å |
| 2290 | N | 29.9 | Very low | 31.5 | Very low | 55 Ų | 55 | 127.7 Ų | 127.7 | 29% | 0.294 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -123.8 | -3.5 | -159.9 | -79.1 | -38.4 | 0 | 0 | 0 | 119.2 | Q233 S234 | Q233-N2290 VanDerWaalsContact CA-OD1 3.31Å; Q233-N2290 WeakPolarHBondContact CA-OD1 3.47Å; Q233-N2290 WeakPolarHBondContact CB-OD1 3.12Å; S234-N2290 WeakPolarHBondContact CA-OD1 3.41Å; S234-N2290 VanDerWaalsContact CB-OD1 3.29Å; S234-N2290 WeakPolarHBondContact CB-OD1 3.43Å; S234-N2290 PolarHBondContact N-OD1 3.33Å |
| 2291 | R | 29.8 | Very low | 31 | Very low | 203 Ų | 203 | 133.7 Ų | 133.7 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | trans | -142.6 | 75.4 | -174.8 | -68 | -170.2 | -178.9 | 169.1 | 2.9 | 116 | ||||
| 2292 | M | 25.8 | Very low | 30.6 | Very low | 191 Ų | 191 | 140 Ų | 140 | 94% | 0.941 | 69% | 0.685 | S | S | * | * | trans | -104.8 | 89.2 | 154.9 | -81 | -172.1 | 67.9 | 0 | 0 | 110.8 | ||||
| 2293 | S | 28.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | 173 | 133.1 | 142.1 | 40.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2294 | R | 28.2 | Very low | 29.7 | Very low | 245 Ų | 245 | 137.9 Ų | 137.9 | 93% | 0.925 | 70% | 0.703 | S | S | * | * | trans | 80 | 100.3 | 156 | -66.3 | 171.7 | 179.5 | 174.7 | 0.9 | 120.2 | ||||
| 2295 | D | 25.9 | Very low | 29.6 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -73 | 156.1 | 156.7 | -57 | -77.2 | 0 | 0 | 0 | 113.5 | ||||
| 2296 | N | 28.7 | Very low | 29.6 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | -175 | 142.5 | 124.6 | -96 | -39.8 | 0 | 0 | 0 | 114.5 | |||||
| 2297 | H | 27.8 | Very low | 29.6 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -58.9 | 156.9 | -170.3 | -63.1 | -98.9 | 0 | 0 | 0 | 118.7 | ||||
| 2298 | T | 28.1 | Very low | 29.6 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | -179.3 | 118.1 | 100.4 | 45.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 2299 | D | 27.9 | Very low | 29.4 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | 59 | 142.6 | 136.7 | -54.8 | -20.6 | 0 | 0 | 0 | 126.5 | ||||
| 2300 | F | 24.4 | Very low | 29.5 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | trans | -89.7 | 160 | -178.3 | -88.1 | -110.3 | 0 | 0 | 0 | 114 | F2302 | F2300-F2302 HydrophobicContact CD1-CD2 4.05Å; F2300-F2302 AromaticContact CD1-CE2 3.66Å; F2300-F2302 HydrophobicContact CD1-CE2 3.66Å; F2300-F2302 AromaticContact CE1-CE2 3.79Å; F2300-F2302 HydrophobicContact CE1-CE2 3.79Å; F2300-F2302 HydrophobicContact CE1-CZ 4.4Å | ||
| 2301 | Q | 27.5 | Very low | 29.6 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | trans | -152 | 135.4 | 138.7 | -114.4 | 170.7 | 12.5 | 0 | 0 | 112.5 | ||||
| 2302 | F | 26.3 | Very low | 29.8 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 75% | 0.75 | 70% | 0.695 | S | S | * | * | trans | -95 | 144.5 | 176 | -82.5 | -104.5 | 0 | 0 | 0 | 110.7 | F2300 | F2300-F2302 HydrophobicContact CD1-CD2 4.05Å; F2300-F2302 AromaticContact CD1-CE2 3.66Å; F2300-F2302 HydrophobicContact CD1-CE2 3.66Å; F2300-F2302 AromaticContact CE1-CE2 3.79Å; F2300-F2302 HydrophobicContact CE1-CE2 3.79Å; F2300-F2302 HydrophobicContact CE1-CZ 4.4Å | ||
| 2303 | A | 26.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -169.7 | 93.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2304 | S | 30.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | -178.7 | 135.6 | 125.4 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | D2307 | S2304-D2307 PolarHBondContact OG-OD2 2.83Š| |||
| 2305 | L | 31.3 | Very low | 31.4 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 80% | 0.801 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -92.5 | -15 | -166.8 | -146.3 | 73.3 | 0 | 0 | 0 | 113.9 | ||
| 2306 | D | 34.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 115.7 Ų | 115.7 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -86.5 | -20 | -172.7 | -55.6 | -36.2 | 0 | 0 | 0 | 113 | L2308 | D2306-L2308 VanDerWaalsContact C-N 3.32Å; D2306-L2308 PolarHBondContact O-N 3.15Å |
| 2307 | D | 34.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 109 Ų | 109 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -12.8 | 179.2 | -61.9 | -61.9 | 0 | 0 | 0 | 113.5 | S2304 E2309 C2311 | S2304-D2307 PolarHBondContact OG-OD2 2.83Å; D2307-E2309 VanDerWaalsContact C-N 3.32Å; D2307-E2309 PolarHBondContact O-N 2.86Å; D2307-C2311 PolarHBondContact O-N 3.36Å; D2307-C2311 PolarHBondContact O-SG 3.38Å |
| 2308 | L | 35 | Very low | 33.2 | Very low | 74 Ų | 74 | 103.7 Ų | 103.7 | 39% | 0.387 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.8 | -31.3 | 178.6 | -100.8 | 101.7 | 0 | 0 | 0 | 112.4 | D2306 A2310 C2311 Y2312 | D2306-L2308 VanDerWaalsContact C-N 3.32Å; D2306-L2308 PolarHBondContact O-N 3.15Å; L2308-A2310 VanDerWaalsContact C-N 3.3Å; L2308-A2310 PolarHBondContact O-N 3.07Å; L2308-C2311 WeakPolarHBondContact O-CB 3.44Å; L2308-C2311 PolarHBondContact O-N 2.99Å; L2308-C2311 VanDerWaalsContact O-N 3.15Å; L2308-Y2312 HydrophobicContact CD2-CE2 4.21Å; L2308-Y2312 WeakPolarHBondContact O-CB 3.4Å; L2308-Y2312 WeakPolarHBondContact O-CD2 3.32Å; L2308-Y2312 VanDerWaalsContact O-CG 3.3Å; L2308-Y2312 PolarHBondContact O-N 3.17Å |
| 2309 | E | 32.2 | Very low | 33.9 | Very low | 143 Ų | 143 | 97.9 Ų | 97.9 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70 | -26.7 | -175.2 | -146.7 | 165.5 | -147.7 | 0 | 0 | 112.4 | D2307 Y2312 | D2307-E2309 VanDerWaalsContact C-N 3.32Å; D2307-E2309 PolarHBondContact O-N 2.86Å; E2309-Y2312 VanDerWaalsContact O-CB 3.27Å; E2309-Y2312 WeakPolarHBondContact O-CB 3.43Å |
| 2310 | A | 34.9 | Very low | 34.5 | Very low | 71 Ų | 71 | 92.8 Ų | 92.8 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -83.3 | -31.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | L2308 Y2312 | L2308-A2310 VanDerWaalsContact C-N 3.3Å; L2308-A2310 PolarHBondContact O-N 3.07Å; A2310-Y2312 PolarHBondContact O-N 3.27Å |
| 2311 | C | 31.6 | Very low | 35 | Very low | 56 Ų | 56 | 86.5 Ų | 86.5 | 38% | 0.378 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -21.2 | 171.3 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | D2307 L2308 A2314 | D2307-C2311 PolarHBondContact O-N 3.36Å; D2307-C2311 PolarHBondContact O-SG 3.38Å; L2308-C2311 WeakPolarHBondContact O-CB 3.44Å; L2308-C2311 PolarHBondContact O-N 2.99Å; L2308-C2311 VanDerWaalsContact O-N 3.15Å; C2311-A2314 PolarHBondContact O-N 2.66Å |
| 2312 | Y | 35.9 | Very low | 35.8 | Very low | 22 Ų | 22 | 77.8 Ų | 77.8 | 9% | 0.086 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -76.8 | -37.7 | -175.1 | -104.4 | -139 | 0 | 0 | 0 | 113 | I1970 Q1972 N2236 L2308 E2309 A2310 A2314 | I1970-Y2312 HydrophobicContact CB-CD1 3.54Å; I1970-Y2312 HydrophobicContact CB-CD2 4.39Å; I1970-Y2312 HydrophobicContact CB-CE1 3.52Å; I1970-Y2312 HydrophobicContact CB-CE2 4.4Å; I1970-Y2312 HydrophobicContact CB-CG 3.9Å; I1970-Y2312 HydrophobicContact CD1-CD1 3.3Å; I1970-Y2312 HydrophobicContact CD1-CE1 3.65Å; I1970-Y2312 HydrophobicContact CD1-CG 4.2Å; I1970-Y2312 HydrophobicContact CG1-CD1 3.23Å; I1970-Y2312 HydrophobicContact CG1-CE1 3.71Å; I1970-Y2312 HydrophobicContact CG1-CG 3.65Å; I1970-Y2312 HydrophobicContact CG2-CD1 3.66Å; I1970-Y2312 HydrophobicContact CG2-CD2 3.58Å; I1970-Y2312 HydrophobicContact CG2-CE1 3.73Å; I1970-Y2312 HydrophobicContact CG2-CE2 3.69Å; I1970-Y2312 HydrophobicContact CG2-CG 3.47Å; I1970-Y2312 VanDerWaalsContact CG2-CG 3.47Å; Q1972-Y2312 VanDerWaalsContact CD-CE2 3.5Å; Q1972-Y2312 HydrophobicContact CG-CE2 3.77Å; Q1972-Y2312 PolarHBondContact OE1-OH 3.34Å; N2236-Y2312 VanDerWaalsContact OD1-CE1 3.29Å; N2236-Y2312 WeakPolarHBondContact OD1-CE1 3.47Å; N2236-Y2312 PolarHBondContact OD1-OH 3.07Å; L2308-Y2312 HydrophobicContact CD2-CE2 4.21Å; L2308-Y2312 WeakPolarHBondContact O-CB 3.4Å; L2308-Y2312 WeakPolarHBondContact O-CD2 3.32Å; L2308-Y2312 VanDerWaalsContact O-CG 3.3Å; L2308-Y2312 PolarHBondContact O-N 3.17Å; E2309-Y2312 VanDerWaalsContact O-CB 3.27Å; E2309-Y2312 WeakPolarHBondContact O-CB 3.43Å; A2310-Y2312 PolarHBondContact O-N 3.27Å; Y2312-A2314 VanDerWaalsContact C-N 3.31Å |
| 2313 | E | 35.1 | Very low | 36.8 | Very low | 153 Ų | 153 | 70.9 Ų | 70.9 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.8 | -24.4 | 170.4 | -62.8 | -173.3 | 148.7 | 0 | 0 | 112.2 | E2315 | E2313-E2315 VanDerWaalsContact C-N 3.34Å; E2313-E2315 PolarHBondContact O-N 2.93Å |
| 2314 | A | 39.6 | Very low | 37.5 | Very low | 33 Ų | 33 | 71.1 Ų | 71.1 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -75.8 | -12.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | C2311 Y2312 Y2316 N2317 | C2311-A2314 PolarHBondContact O-N 2.66Å; Y2312-A2314 VanDerWaalsContact C-N 3.31Å; A2314-Y2316 VanDerWaalsContact C-N 3.3Å; A2314-Y2316 PolarHBondContact O-N 2.96Å; A2314-N2317 PolarHBondContact O-N 3.05Å |
| 2315 | E | 40 | Very low | 37.9 | Very low | 46 Ų | 46 | 68.5 Ų | 68.5 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -76.2 | -13.9 | -178.2 | -75.2 | -177.2 | 156.9 | 0 | 0 | 114.1 | I1970 I1971 Q1972 E2313 N2317 R2324 | I1970-E2315 WeakPolarHBondContact CG2-OE2 3.35Å; I1971-E2315 PolarHBondContact N-OE2 2.99Å; I1971-E2315 VanDerWaalsContact O-OE2 3.07Å; Q1972-E2315 PolarHBondContact N-OE2 2.93Å; E2313-E2315 VanDerWaalsContact C-N 3.34Å; E2313-E2315 PolarHBondContact O-N 2.93Å; E2315-N2317 VanDerWaalsContact C-N 3.35Å; E2315-R2324 IonicContact OE1-NH1 3.05Å |
| 2316 | Y | 41.4 | Very low | 38.4 | Very low | 112 Ų | 112 | 63.2 Ų | 63.2 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -83.5 | -8.4 | 171.3 | -92 | -85.9 | 0 | 0 | 0 | 114 | K1969 I1971 A2314 L2318 | K1969-Y2316 WeakPolarHBondContact CE-OH 3.28Å; I1971-Y2316 HydrophobicContact CD1-CE2 4.19Å; I1971-Y2316 WeakPolarHBondContact CD1-OH 3.44Å; I1971-Y2316 HydrophobicContact CG1-CE2 4.47Å; A2314-Y2316 VanDerWaalsContact C-N 3.3Å; A2314-Y2316 PolarHBondContact O-N 2.96Å; Y2316-L2318 PolarHBondContact O-N 2.96Å |
| 2317 | N | 40.8 | Very low | 38.6 | Very low | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -84.9 | 107.8 | 176.1 | -169.2 | -23.1 | 0 | 0 | 0 | 110.8 | S35 A2314 E2315 D2319 T2320 F2321 | S35-N2317 WeakPolarHBondContact CB-ND2 3.42Å; S35-N2317 PolarHBondContact OG-ND2 3.28Å; A2314-N2317 PolarHBondContact O-N 3.05Å; E2315-N2317 VanDerWaalsContact C-N 3.35Å; N2317-D2319 PolarHBondContact O-N 3.12Å; N2317-D2319 VanDerWaalsContact O-N 3.15Å; N2317-D2319 WeakPolarHBondContact OD1-CB 3.5Å; N2317-D2319 PolarHBondContact OD1-N 2.96Å; N2317-T2320 PolarHBondContact O-N 2.96Å; N2317-F2321 PolarHBondContact O-N 3.31Å | ||
| 2318 | L | 38.4 | Very low | 38.3 | Very low | 53 Ų | 53 | 64.7 Ų | 64.7 | 28% | 0.277 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.1 | -28.8 | 178.9 | -161.6 | 71.6 | 0 | 0 | 0 | 112 | Y2316 V2322 | Y2316-L2318 PolarHBondContact O-N 2.96Å; L2318-V2322 HydrophobicContact CG-CG2 4.3Å; L2318-V2322 WeakPolarHBondContact O-CB 3.35Å; L2318-V2322 WeakPolarHBondContact O-CG2 3.43Å; L2318-V2322 PolarHBondContact O-N 2.9Å |
| 2319 | D | 43.4 | Very low | 38.4 | Very low | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74 | -33.3 | 178.5 | -71.1 | -85.7 | 0 | 0 | 0 | 112.5 | R4 L5 I31 N2317 A2323 | R4-D2319 WeakPolarHBondContact CB-OD1 3.19Å; R4-D2319 WeakPolarHBondContact CD-OD1 3.22Å; R4-D2319 WeakPolarHBondContact CD-OD2 3.24Å; R4-D2319 WeakPolarHBondContact CG-OD1 3.22Å; R4-D2319 IonicContact CZ-OD2 3.85Å; R4-D2319 IonicContact NE-OD2 3.36Å; R4-D2319 IonicContact NH1-OD2 3.91Å; R4-D2319 PolarHBondContact NH1-OD2 2.96Å; L5-D2319 HydrophobicContact CB-CB 4.38Å; L5-D2319 HydrophobicContact CD1-CB 4.26Å; L5-D2319 PolarHBondContact N-OD1 3.18Å; L5-D2319 VanDerWaalsContact N-OD1 3.09Å; I31-D2319 VanDerWaalsContact CD1-CG 3.43Å; I31-D2319 WeakPolarHBondContact CD1-OD1 3.3Å; I31-D2319 VanDerWaalsContact CD1-OD2 3.3Å; I31-D2319 WeakPolarHBondContact CD1-OD2 3.43Å; I31-D2319 WeakPolarHBondContact CG1-OD2 3.4Å; I31-D2319 HydrophobicContact CG2-CB 4.4Å; N2317-D2319 PolarHBondContact O-N 3.12Å; N2317-D2319 VanDerWaalsContact O-N 3.15Å; N2317-D2319 WeakPolarHBondContact OD1-CB 3.5Å; N2317-D2319 PolarHBondContact OD1-N 2.96Å; D2319-A2323 WeakPolarHBondContact O-CB 3.46Å; D2319-A2323 PolarHBondContact O-N 2.72Å |
| 2320 | T | 39.3 | Very low | 38.7 | Very low | 42 Ų | 42 | 60.1 Ų | 60.1 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -77 | -37 | 173 | -35.5 | 0 | 0 | 0 | 0 | 111.8 | N2317 A2323 R2324 | N2317-T2320 PolarHBondContact O-N 2.96Å; T2320-A2323 CarbonylContact O-C 3.59Å; T2320-A2323 PolarHBondContact O-N 3.27Å; T2320-R2324 WeakPolarHBondContact O-CG 3.4Å; T2320-R2324 PolarHBondContact O-N 2.97Å |
| 2321 | F | 35.2 | Very low | 39 | Very low | 47 Ų | 47 | 59.5 Ų | 59.5 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 171.9 | 175.5 | -107 | 0 | 0 | 0 | 111.3 | D1973 N2317 A2323 R2324 L2325 | D1973-F2321 WeakPolarHBondContact OD2-CE2 3.46Å; N2317-F2321 PolarHBondContact O-N 3.31Å; F2321-A2323 VanDerWaalsContact C-N 3.27Å; F2321-A2323 PolarHBondContact O-N 3.14Å; F2321-R2324 PolarHBondContact O-N 3.45Å; F2321-L2325 HydrophobicContact CD1-CD1 3.92Å; F2321-L2325 HydrophobicContact CE1-CD1 3.46Å; F2321-L2325 VanDerWaalsContact CE1-CD1 3.46Å; F2321-L2325 HydrophobicContact CE1-CG 4.28Å; F2321-L2325 HydrophobicContact CZ-CD1 3.88Å; F2321-L2325 HydrophobicContact CZ-CG 4.29Å; F2321-L2325 PolarHBondContact O-N 3.48Å |
| 2322 | V | 44.6 | Very low | 39.4 | Very low | 16 Ų | 16 | 59.7 Ų | 59.7 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.6 | -23 | 176.1 | -163.4 | 0 | 0 | 0 | 0 | 110.6 | T2 S3 R4 L2318 L2325 K2326 | T2-V2322 WeakPolarHBondContact O-CG1 3.42Å; S3-V2322 WeakPolarHBondContact CA-O 3.44Å; R4-V2322 HydrophobicContact CB-CB 3.9Å; R4-V2322 HydrophobicContact CB-CG1 4.27Å; R4-V2322 HydrophobicContact CB-CG2 4.13Å; R4-V2322 VanDerWaalsContact N-CG1 3.29Å; L2318-V2322 HydrophobicContact CG-CG2 4.3Å; L2318-V2322 WeakPolarHBondContact O-CB 3.35Å; L2318-V2322 WeakPolarHBondContact O-CG2 3.43Å; L2318-V2322 PolarHBondContact O-N 2.9Å; V2322-L2325 HydrophobicContact CG1-CB 4.47Å; V2322-L2325 HydrophobicContact CG1-CD1 4.35Å; V2322-L2325 HydrophobicContact CG2-CD1 4.36Å; V2322-L2325 CarbonylContact O-C 3.39Å; V2322-L2325 WeakPolarHBondContact O-CB 3.4Å; V2322-K2326 PolarHBondContact O-N 2.9Å |
| 2323 | A | 47.2 | Very low | 39.6 | Very low | 25 Ų | 25 | 62.1 Ų | 62.1 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70 | -37.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D2319 T2320 F2321 K2326 T2327 | D2319-A2323 WeakPolarHBondContact O-CB 3.46Å; D2319-A2323 PolarHBondContact O-N 2.72Å; T2320-A2323 CarbonylContact O-C 3.59Å; T2320-A2323 PolarHBondContact O-N 3.27Å; F2321-A2323 VanDerWaalsContact C-N 3.27Å; F2321-A2323 PolarHBondContact O-N 3.14Å; A2323-K2326 WeakPolarHBondContact O-CA 3.31Å; A2323-K2326 WeakPolarHBondContact O-CB 3.16Å; A2323-K2326 PolarHBondContact O-N 3.16Å; A2323-T2327 PolarHBondContact O-N 2.92Å; A2323-T2327 PolarHBondContact O-OG1 2.98Å; A2323-T2327 VanDerWaalsContact O-OG1 3.1Å |
| 2324 | R | 40.8 | Very low | 39.9 | Very low | 106 Ų | 106 | 56 Ų | 56 | 40% | 0.4 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 170 | -73.6 | -179.9 | -176.2 | 164.2 | 3 | 111.6 | E2315 T2320 F2321 K2326 T2327 N2328 | E2315-R2324 IonicContact OE1-NH1 3.05Å; T2320-R2324 WeakPolarHBondContact O-CG 3.4Å; T2320-R2324 PolarHBondContact O-N 2.97Å; F2321-R2324 PolarHBondContact O-N 3.45Å; R2324-K2326 VanDerWaalsContact C-N 3.3Å; R2324-K2326 PolarHBondContact O-N 3.22Å; R2324-T2327 PolarHBondContact O-N 3.45Å; R2324-T2327 PolarHBondContact O-OG1 3.25Å; R2324-N2328 PolarHBondContact O-N 3.37Å; R2324-N2328 VanDerWaalsContact O-N 3.11Å |
| 2325 | L | 39.4 | Very low | 39.9 | Very low | 24 Ų | 24 | 57.6 Ų | 57.6 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 163.4 | -73 | 165.9 | 0 | 0 | 0 | 110 | M1 F2321 V2322 T2327 N2328 | M1-L2325 WeakPolarHBondContact CB-O 3.3Å; M1-L2325 HydrophobicContact CE-CB 4.28Å; M1-L2325 HydrophobicContact CE-CD2 3.79Å; M1-L2325 WeakPolarHBondContact CE-O 3.44Å; M1-L2325 HydrophobicContact SD-CB 3.86Å; M1-L2325 HydrophobicContact SD-CD2 3.82Å; M1-L2325 HydrophobicContact SD-CG 4.39Å; F2321-L2325 HydrophobicContact CD1-CD1 3.92Å; F2321-L2325 HydrophobicContact CE1-CD1 3.46Å; F2321-L2325 VanDerWaalsContact CE1-CD1 3.46Å; F2321-L2325 HydrophobicContact CE1-CG 4.28Å; F2321-L2325 HydrophobicContact CZ-CD1 3.88Å; F2321-L2325 HydrophobicContact CZ-CG 4.29Å; F2321-L2325 PolarHBondContact O-N 3.48Å; V2322-L2325 HydrophobicContact CG1-CB 4.47Å; V2322-L2325 HydrophobicContact CG1-CD1 4.35Å; V2322-L2325 HydrophobicContact CG2-CD1 4.36Å; V2322-L2325 CarbonylContact O-C 3.39Å; V2322-L2325 WeakPolarHBondContact O-CB 3.4Å; L2325-T2327 VanDerWaalsContact C-N 3.31Å; L2325-T2327 PolarHBondContact O-N 3.34Å; L2325-N2328 PolarHBondContact O-N 3.31Å |
| 2326 | K | 41.8 | Very low | 39.9 | Very low | 42 Ų | 42 | 58.5 Ų | 58.5 | 18% | 0.183 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.5 | -41.2 | 179.6 | -168.2 | 162.3 | -124.9 | 126.6 | 0 | 113.4 | M1 T2 S3 D6 V2322 A2323 R2324 | M1-K2326 PolarHBondContact N-O 3.47Å; T2-K2326 VanDerWaalsContact CA-CE 3.44Å; S3-K2326 VanDerWaalsContact N-CD 3.29Å; S3-K2326 VanDerWaalsContact N-CE 3.28Å; S3-K2326 PolarHBondContact O-NZ 3.43Å; S3-K2326 WeakPolarHBondContact OG-CD 3.33Å; S3-K2326 PolarHBondContact OG-NZ 3.36Å; D6-K2326 IonicContact OD1-NZ 3.81Å; D6-K2326 WeakPolarHBondContact OD2-CD 3.26Å; D6-K2326 WeakPolarHBondContact OD2-CE 3.49Å; D6-K2326 IonicContact OD2-NZ 2.66Å; D6-K2326 PolarHBondContact OD2-NZ 3.23Å; V2322-K2326 PolarHBondContact O-N 2.9Å; A2323-K2326 WeakPolarHBondContact O-CA 3.31Å; A2323-K2326 WeakPolarHBondContact O-CB 3.16Å; A2323-K2326 PolarHBondContact O-N 3.16Å; R2324-K2326 VanDerWaalsContact C-N 3.3Å; R2324-K2326 PolarHBondContact O-N 3.22Å |
| 2327 | T | 38.7 | Very low | 39.8 | Very low | 110 Ų | 110 | 54.1 Ų | 54.1 | 68% | 0.675 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -90.4 | -11.9 | -172.1 | 52.7 | 0 | 0 | 0 | 0 | 114 | A2323 R2324 L2325 | A2323-T2327 PolarHBondContact O-N 2.92Å; A2323-T2327 PolarHBondContact O-OG1 2.98Å; A2323-T2327 VanDerWaalsContact O-OG1 3.1Å; R2324-T2327 PolarHBondContact O-N 3.45Å; R2324-T2327 PolarHBondContact O-OG1 3.25Å; L2325-T2327 VanDerWaalsContact C-N 3.31Å; L2325-T2327 PolarHBondContact O-N 3.34Å |
| 2328 | N | 28 | Very low | 39.7 | Very low | 163 Ų | 163 | 57.5 Ų | 57.5 | 87% | 0.872 | 30% | 0.302 | S | S | * | . | trans | -92.5 | 0 | 159.8 | -66.6 | -8.1 | 0 | 0 | 0 | 111 | M1 R2324 L2325 | M1-N2328 PolarHBondContact N-OXT 3.15Å; R2324-N2328 PolarHBondContact O-N 3.37Å; R2324-N2328 VanDerWaalsContact O-N 3.11Å; L2325-N2328 PolarHBondContact O-N 3.31Å |
Retrieved 2,328 of 2,328 residues in 2352.2 ms
(Link to these results)